data_3SUI # _entry.id 3SUI # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3SUI RCSB RCSB066667 WWPDB D_1000066667 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3SUI _pdbx_database_status.recvd_initial_deposition_date 2011-07-11 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Lau, S.-Y.' 1 'Gaudet, R.' 2 # _citation.id primary _citation.title 'Distinct properties of Ca2+-calmodulin binding to N- and C-terminal regulatory regions of the TRPV1 channel.' _citation.journal_abbrev J.Gen.Physiol. _citation.journal_volume 140 _citation.page_first 541 _citation.page_last 555 _citation.year 2012 _citation.journal_id_ASTM ? _citation.country US _citation.journal_id_ISSN 0022-1295 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23109716 _citation.pdbx_database_id_DOI 10.1085/jgp.201210810 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Lau, S.Y.' 1 primary 'Procko, E.' 2 primary 'Gaudet, R.' 3 # _cell.entry_id 3SUI _cell.length_a 41.681 _cell.length_b 41.681 _cell.length_c 341.533 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3SUI _symmetry.space_group_name_H-M 'P 61 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 178 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man Calmodulin 16852.545 1 ? ? ? ? 2 polymer man 'Transient receptor potential cation channel subfamily V member 1' 4080.678 1 ? ? 'Unp residues 767-801' ? 3 non-polymer syn 'CALCIUM ION' 40.078 4 ? ? ? ? 4 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 5 water nat water 18.015 91 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 CaM 2 'TrpV1, Capsaicin receptor, Osm-9-like TRP channel 1, OTRPC1, Vanilloid receptor 1, Vanilloid receptor type 1-like' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDT DSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK ; ;MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDT DSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK ; A ? 2 'polypeptide(L)' no no GPEGVKRTLSFSLRSGRVSGRNWKNFALVPLLRDAST GPEGVKRTLSFSLRSGRVSGRNWKNFALVPLLRDAST B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET n 1 2 ALA n 1 3 ASP n 1 4 GLN n 1 5 LEU n 1 6 THR n 1 7 GLU n 1 8 GLU n 1 9 GLN n 1 10 ILE n 1 11 ALA n 1 12 GLU n 1 13 PHE n 1 14 LYS n 1 15 GLU n 1 16 ALA n 1 17 PHE n 1 18 SER n 1 19 LEU n 1 20 PHE n 1 21 ASP n 1 22 LYS n 1 23 ASP n 1 24 GLY n 1 25 ASP n 1 26 GLY n 1 27 THR n 1 28 ILE n 1 29 THR n 1 30 THR n 1 31 LYS n 1 32 GLU n 1 33 LEU n 1 34 GLY n 1 35 THR n 1 36 VAL n 1 37 MET n 1 38 ARG n 1 39 SER n 1 40 LEU n 1 41 GLY n 1 42 GLN n 1 43 ASN n 1 44 PRO n 1 45 THR n 1 46 GLU n 1 47 ALA n 1 48 GLU n 1 49 LEU n 1 50 GLN n 1 51 ASP n 1 52 MET n 1 53 ILE n 1 54 ASN n 1 55 GLU n 1 56 VAL n 1 57 ASP n 1 58 ALA n 1 59 ASP n 1 60 GLY n 1 61 ASN n 1 62 GLY n 1 63 THR n 1 64 ILE n 1 65 ASP n 1 66 PHE n 1 67 PRO n 1 68 GLU n 1 69 PHE n 1 70 LEU n 1 71 THR n 1 72 MET n 1 73 MET n 1 74 ALA n 1 75 ARG n 1 76 LYS n 1 77 MET n 1 78 LYS n 1 79 ASP n 1 80 THR n 1 81 ASP n 1 82 SER n 1 83 GLU n 1 84 GLU n 1 85 GLU n 1 86 ILE n 1 87 ARG n 1 88 GLU n 1 89 ALA n 1 90 PHE n 1 91 ARG n 1 92 VAL n 1 93 PHE n 1 94 ASP n 1 95 LYS n 1 96 ASP n 1 97 GLY n 1 98 ASN n 1 99 GLY n 1 100 TYR n 1 101 ILE n 1 102 SER n 1 103 ALA n 1 104 ALA n 1 105 GLU n 1 106 LEU n 1 107 ARG n 1 108 HIS n 1 109 VAL n 1 110 MET n 1 111 THR n 1 112 ASN n 1 113 LEU n 1 114 GLY n 1 115 GLU n 1 116 LYS n 1 117 LEU n 1 118 THR n 1 119 ASP n 1 120 GLU n 1 121 GLU n 1 122 VAL n 1 123 ASP n 1 124 GLU n 1 125 MET n 1 126 ILE n 1 127 ARG n 1 128 GLU n 1 129 ALA n 1 130 ASP n 1 131 ILE n 1 132 ASP n 1 133 GLY n 1 134 ASP n 1 135 GLY n 1 136 GLN n 1 137 VAL n 1 138 ASN n 1 139 TYR n 1 140 GLU n 1 141 GLU n 1 142 PHE n 1 143 VAL n 1 144 GLN n 1 145 MET n 1 146 MET n 1 147 THR n 1 148 ALA n 1 149 LYS n 2 1 GLY n 2 2 PRO n 2 3 GLU n 2 4 GLY n 2 5 VAL n 2 6 LYS n 2 7 ARG n 2 8 THR n 2 9 LEU n 2 10 SER n 2 11 PHE n 2 12 SER n 2 13 LEU n 2 14 ARG n 2 15 SER n 2 16 GLY n 2 17 ARG n 2 18 VAL n 2 19 SER n 2 20 GLY n 2 21 ARG n 2 22 ASN n 2 23 TRP n 2 24 LYS n 2 25 ASN n 2 26 PHE n 2 27 ALA n 2 28 LEU n 2 29 VAL n 2 30 PRO n 2 31 LEU n 2 32 LEU n 2 33 ARG n 2 34 ASP n 2 35 ALA n 2 36 SER n 2 37 THR n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? human ? 'CALM, CALM1, CALM2, CALM3, CALML2, CAM, CAM1, CAM2, CAM3, CAMB, CAMC, CAMIII' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 469008 ? ? ? ? ? ? 'BL21(DE3)' ? ? ? ? ? ? ? plasmid ? ? ? pET21 ? ? 2 1 sample ? ? ? rat ? 'Trpv1, Vr1, Vr1l' ? ? ? ? ? ? 'Rattus norvegicus' 10116 ? ? ? ? ? ? ? ? 'Escherichia coli' 469008 ? ? ? ? ? ? 'BL21(DE3)' ? ? ? ? ? ? ? plasmid ? ? ? pMALC2 ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform 1 UNP CALM_HUMAN 1 ;MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDT DSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK ; 1 P62158 ? 2 UNP TRPV1_RAT 2 EGVKRTLSFSLRSGRVSGRNWKNFALVPLLRDAST 767 O35433 ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3SUI A 1 ? 149 ? P62158 1 ? 149 ? 0 148 2 2 3SUI B 3 ? 37 ? O35433 767 ? 801 ? 767 801 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 2 3SUI GLY B 1 ? UNP O35433 ? ? 'EXPRESSION TAG' 765 1 2 3SUI PRO B 2 ? UNP O35433 ? ? 'EXPRESSION TAG' 766 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3SUI _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.05 _exptl_crystal.density_percent_sol 39.87 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.0 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.1M MES PH6.0, 2.2-2.8M AMMONIUM SULFATE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315' _diffrn_detector.pdbx_collection_date 2009-10-28 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'SI(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97949 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 24-ID-C' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 24-ID-C _diffrn_source.pdbx_wavelength 0.97949 _diffrn_source.pdbx_wavelength_list 0.97949 # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 3SUI _reflns.observed_criterion_sigma_I 0.000 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 50.000 _reflns.d_resolution_high 1.950 _reflns.number_obs 13862 _reflns.number_all 13912 _reflns.percent_possible_obs 98.0 _reflns.pdbx_Rmerge_I_obs 0.05200 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 13.2000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 5.400 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.95 _reflns_shell.d_res_low 1.98 _reflns_shell.percent_possible_all 91.2 _reflns_shell.Rmerge_I_obs 0.46900 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy 3.90 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3SUI _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 13172 _refine.ls_number_reflns_all 13912 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 36.10 _refine.ls_d_res_high 1.95 _refine.ls_percent_reflns_obs 98.67 _refine.ls_R_factor_obs 0.19437 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.19175 _refine.ls_R_factor_R_free 0.24837 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 690 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.957 _refine.correlation_coeff_Fo_to_Fc_free 0.942 _refine.B_iso_mean 41.983 _refine.aniso_B[1][1] 0.47 _refine.aniso_B[2][2] 0.47 _refine.aniso_B[3][3] -0.70 _refine.aniso_B[1][2] 0.23 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 3DVE _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.168 _refine.pdbx_overall_ESU_R_Free 0.164 _refine.overall_SU_ML 0.107 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 8.173 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1268 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 9 _refine_hist.number_atoms_solvent 91 _refine_hist.number_atoms_total 1368 _refine_hist.d_res_high 1.95 _refine_hist.d_res_low 36.10 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.017 0.022 ? 1372 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.519 1.960 ? 1866 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 4.707 5.000 ? 182 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 36.926 26.296 ? 81 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 16.447 15.000 ? 256 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 19.427 15.000 ? 8 'X-RAY DIFFRACTION' ? r_chiral_restr 0.102 0.200 ? 202 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.007 0.020 ? 1077 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.972 1.500 ? 830 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.728 2.000 ? 1341 'X-RAY DIFFRACTION' ? r_scbond_it 2.525 3.000 ? 542 'X-RAY DIFFRACTION' ? r_scangle_it 4.141 4.500 ? 513 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.952 _refine_ls_shell.d_res_low 2.003 _refine_ls_shell.number_reflns_R_work 885 _refine_ls_shell.R_factor_R_work 0.257 _refine_ls_shell.percent_reflns_obs 93.11 _refine_ls_shell.R_factor_R_free 0.322 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 47 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 3SUI _struct.title 'Crystal structure of ca2+-calmodulin in complex with a trpv1 c-terminal peptide' _struct.pdbx_descriptor 'Calmodulin, Transient receptor potential cation channel subfamily V member 1' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3SUI _struct_keywords.pdbx_keywords 'CALCIUM-BINDING PROTEIN' _struct_keywords.text ;CALMODULIN, CALCIUM-CALMODULIN, TRPV1, TRPV1 C-TERMINUS, CALMODULIN COMPLEX, THERMOSENSOR, TRP CHANNEL, EF HANDS, 1-10 MOTIF, CALCIUM CHANNEL, CALMODULIN-BINDING, ION CHANNEL, CALCIUM BINDING PROTEIN, CALCIUM-BINDING PROTEIN ; # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 5 ? I N N 5 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 THR A 6 ? ASP A 21 ? THR A 5 ASP A 20 1 ? 16 HELX_P HELX_P2 2 THR A 29 ? LEU A 40 ? THR A 28 LEU A 39 1 ? 12 HELX_P HELX_P3 3 THR A 45 ? GLU A 55 ? THR A 44 GLU A 54 1 ? 11 HELX_P HELX_P4 4 ASP A 65 ? THR A 80 ? ASP A 64 THR A 79 1 ? 16 HELX_P HELX_P5 5 SER A 82 ? ASP A 94 ? SER A 81 ASP A 93 1 ? 13 HELX_P HELX_P6 6 SER A 102 ? GLY A 114 ? SER A 101 GLY A 113 1 ? 13 HELX_P HELX_P7 7 THR A 118 ? ASP A 130 ? THR A 117 ASP A 129 1 ? 13 HELX_P HELX_P8 8 TYR A 139 ? ALA A 148 ? TYR A 138 ALA A 147 1 ? 10 HELX_P HELX_P9 9 TRP B 23 ? VAL B 29 ? TRP B 787 VAL B 793 1 ? 7 HELX_P HELX_P10 10 PRO B 30 ? LEU B 32 ? PRO B 794 LEU B 796 5 ? 3 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order metalc1 metalc ? ? D CA . CA ? ? ? 1_555 H HOH . O ? ? A CA 502 A HOH 175 1_555 ? ? ? ? ? ? ? 2.137 ? metalc2 metalc ? ? E CA . CA ? ? ? 1_555 H HOH . O ? ? A CA 503 A HOH 166 1_555 ? ? ? ? ? ? ? 2.195 ? metalc3 metalc ? ? A TYR 100 O ? ? ? 1_555 E CA . CA ? ? A TYR 99 A CA 503 1_555 ? ? ? ? ? ? ? 2.211 ? metalc4 metalc ? ? A ASP 130 OD2 ? ? ? 1_555 F CA . CA ? ? A ASP 129 A CA 504 1_555 ? ? ? ? ? ? ? 2.244 ? metalc5 metalc ? ? A ASP 57 OD2 ? ? ? 1_555 D CA . CA ? ? A ASP 56 A CA 502 1_555 ? ? ? ? ? ? ? 2.250 ? metalc6 metalc ? ? A THR 27 O ? ? ? 1_555 C CA . CA ? ? A THR 26 A CA 501 1_555 ? ? ? ? ? ? ? 2.302 ? metalc7 metalc ? ? A ASP 134 OD2 ? ? ? 1_555 F CA . CA ? ? A ASP 133 A CA 504 1_555 ? ? ? ? ? ? ? 2.318 ? metalc8 metalc ? ? A ASP 94 OD2 ? ? ? 1_555 E CA . CA ? ? A ASP 93 A CA 503 1_555 ? ? ? ? ? ? ? 2.318 ? metalc9 metalc ? ? A GLN 136 O ? ? ? 1_555 F CA . CA ? ? A GLN 135 A CA 504 1_555 ? ? ? ? ? ? ? 2.349 ? metalc10 metalc ? ? A THR 63 O ? ? ? 1_555 D CA . CA ? ? A THR 62 A CA 502 1_555 ? ? ? ? ? ? ? 2.352 ? metalc11 metalc ? ? A ASP 59 OD2 ? ? ? 1_555 D CA . CA ? ? A ASP 58 A CA 502 1_555 ? ? ? ? ? ? ? 2.353 ? metalc12 metalc ? ? A ASP 21 OD1 ? ? ? 1_555 C CA . CA ? ? A ASP 20 A CA 501 1_555 ? ? ? ? ? ? ? 2.367 ? metalc13 metalc ? ? A ASN 61 OD1 ? ? ? 1_555 D CA . CA ? ? A ASN 60 A CA 502 1_555 ? ? ? ? ? ? ? 2.367 ? metalc14 metalc ? ? A ASN 98 OD1 ? ? ? 1_555 E CA . CA ? ? A ASN 97 A CA 503 1_555 ? ? ? ? ? ? ? 2.370 ? metalc15 metalc ? ? A GLU 68 OE1 ? ? ? 1_555 D CA . CA ? ? A GLU 67 A CA 502 1_555 ? ? ? ? ? ? ? 2.378 ? metalc16 metalc ? ? A ASP 96 OD1 ? ? ? 1_555 E CA . CA ? ? A ASP 95 A CA 503 1_555 ? ? ? ? ? ? ? 2.379 ? metalc17 metalc ? ? A ASP 132 OD1 ? ? ? 1_555 F CA . CA ? ? A ASP 131 A CA 504 1_555 ? ? ? ? ? ? ? 2.384 ? metalc18 metalc ? ? C CA . CA ? ? ? 1_555 H HOH . O ? ? A CA 501 A HOH 195 1_555 ? ? ? ? ? ? ? 2.401 ? metalc19 metalc ? ? A GLU 32 OE2 ? ? ? 1_555 C CA . CA ? ? A GLU 31 A CA 501 1_555 ? ? ? ? ? ? ? 2.414 ? metalc20 metalc ? ? A ASP 25 OD2 ? ? ? 1_555 C CA . CA ? ? A ASP 24 A CA 501 1_555 ? ? ? ? ? ? ? 2.423 ? metalc21 metalc ? ? A GLU 105 OE2 ? ? ? 1_555 E CA . CA ? ? A GLU 104 A CA 503 1_555 ? ? ? ? ? ? ? 2.437 ? metalc22 metalc ? ? A GLU 141 OE1 ? ? ? 1_555 F CA . CA ? ? A GLU 140 A CA 504 1_555 ? ? ? ? ? ? ? 2.439 ? metalc23 metalc ? ? F CA . CA ? ? ? 1_555 H HOH . O ? ? A CA 504 A HOH 159 1_555 ? ? ? ? ? ? ? 2.457 ? metalc24 metalc ? ? A GLU 32 OE1 ? ? ? 1_555 C CA . CA ? ? A GLU 31 A CA 501 1_555 ? ? ? ? ? ? ? 2.482 ? metalc25 metalc ? ? A GLU 105 OE1 ? ? ? 1_555 E CA . CA ? ? A GLU 104 A CA 503 1_555 ? ? ? ? ? ? ? 2.486 ? metalc26 metalc ? ? A ASP 23 OD1 ? ? ? 1_555 C CA . CA ? ? A ASP 22 A CA 501 1_555 ? ? ? ? ? ? ? 2.514 ? metalc27 metalc ? ? A GLU 141 OE2 ? ? ? 1_555 F CA . CA ? ? A GLU 140 A CA 504 1_555 ? ? ? ? ? ? ? 2.596 ? metalc28 metalc ? ? A GLU 68 OE2 ? ? ? 1_555 D CA . CA ? ? A GLU 67 A CA 502 1_555 ? ? ? ? ? ? ? 2.658 ? # _struct_conn_type.id metalc _struct_conn_type.criteria ? _struct_conn_type.reference ? # _struct_sheet.id A _struct_sheet.type ? _struct_sheet.number_strands 2 _struct_sheet.details ? # _struct_sheet_order.sheet_id A _struct_sheet_order.range_id_1 1 _struct_sheet_order.range_id_2 2 _struct_sheet_order.offset ? _struct_sheet_order.sense anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 TYR A 100 ? ILE A 101 ? TYR A 99 ILE A 100 A 2 VAL A 137 ? ASN A 138 ? VAL A 136 ASN A 137 # _pdbx_struct_sheet_hbond.sheet_id A _pdbx_struct_sheet_hbond.range_id_1 1 _pdbx_struct_sheet_hbond.range_id_2 2 _pdbx_struct_sheet_hbond.range_1_label_atom_id N _pdbx_struct_sheet_hbond.range_1_label_comp_id ILE _pdbx_struct_sheet_hbond.range_1_label_asym_id A _pdbx_struct_sheet_hbond.range_1_label_seq_id 101 _pdbx_struct_sheet_hbond.range_1_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_1_auth_atom_id N _pdbx_struct_sheet_hbond.range_1_auth_comp_id ILE _pdbx_struct_sheet_hbond.range_1_auth_asym_id A _pdbx_struct_sheet_hbond.range_1_auth_seq_id 100 _pdbx_struct_sheet_hbond.range_2_label_atom_id O _pdbx_struct_sheet_hbond.range_2_label_comp_id VAL _pdbx_struct_sheet_hbond.range_2_label_asym_id A _pdbx_struct_sheet_hbond.range_2_label_seq_id 137 _pdbx_struct_sheet_hbond.range_2_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_2_auth_atom_id O _pdbx_struct_sheet_hbond.range_2_auth_comp_id VAL _pdbx_struct_sheet_hbond.range_2_auth_asym_id A _pdbx_struct_sheet_hbond.range_2_auth_seq_id 136 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 501' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 502' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 503' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 504' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 149' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 ASP A 21 ? ASP A 20 . ? 1_555 ? 2 AC1 6 ASP A 23 ? ASP A 22 . ? 1_555 ? 3 AC1 6 ASP A 25 ? ASP A 24 . ? 1_555 ? 4 AC1 6 THR A 27 ? THR A 26 . ? 1_555 ? 5 AC1 6 GLU A 32 ? GLU A 31 . ? 1_555 ? 6 AC1 6 HOH H . ? HOH A 195 . ? 1_555 ? 7 AC2 6 ASP A 57 ? ASP A 56 . ? 1_555 ? 8 AC2 6 ASP A 59 ? ASP A 58 . ? 1_555 ? 9 AC2 6 ASN A 61 ? ASN A 60 . ? 1_555 ? 10 AC2 6 THR A 63 ? THR A 62 . ? 1_555 ? 11 AC2 6 GLU A 68 ? GLU A 67 . ? 1_555 ? 12 AC2 6 HOH H . ? HOH A 175 . ? 1_555 ? 13 AC3 6 ASP A 94 ? ASP A 93 . ? 1_555 ? 14 AC3 6 ASP A 96 ? ASP A 95 . ? 1_555 ? 15 AC3 6 ASN A 98 ? ASN A 97 . ? 1_555 ? 16 AC3 6 TYR A 100 ? TYR A 99 . ? 1_555 ? 17 AC3 6 GLU A 105 ? GLU A 104 . ? 1_555 ? 18 AC3 6 HOH H . ? HOH A 166 . ? 1_555 ? 19 AC4 6 ASP A 130 ? ASP A 129 . ? 1_555 ? 20 AC4 6 ASP A 132 ? ASP A 131 . ? 1_555 ? 21 AC4 6 ASP A 134 ? ASP A 133 . ? 1_555 ? 22 AC4 6 GLN A 136 ? GLN A 135 . ? 1_555 ? 23 AC4 6 GLU A 141 ? GLU A 140 . ? 1_555 ? 24 AC4 6 HOH H . ? HOH A 159 . ? 1_555 ? 25 AC5 3 GLN A 42 ? GLN A 41 . ? 1_555 ? 26 AC5 3 ASN A 43 ? ASN A 42 . ? 1_555 ? 27 AC5 3 ARG B 33 ? ARG B 797 . ? 1_555 ? # _database_PDB_matrix.entry_id 3SUI _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3SUI _atom_sites.fract_transf_matrix[1][1] 0.023992 _atom_sites.fract_transf_matrix[1][2] 0.013852 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.027703 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.002928 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CA N O S # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 MET 1 0 ? ? ? A . n A 1 2 ALA 2 1 ? ? ? A . n A 1 3 ASP 3 2 ? ? ? A . n A 1 4 GLN 4 3 3 GLN GLN A . n A 1 5 LEU 5 4 4 LEU LEU A . n A 1 6 THR 6 5 5 THR THR A . n A 1 7 GLU 7 6 6 GLU GLU A . n A 1 8 GLU 8 7 7 GLU ALA A . n A 1 9 GLN 9 8 8 GLN GLN A . n A 1 10 ILE 10 9 9 ILE ILE A . n A 1 11 ALA 11 10 10 ALA ALA A . n A 1 12 GLU 12 11 11 GLU GLU A . n A 1 13 PHE 13 12 12 PHE PHE A . n A 1 14 LYS 14 13 13 LYS LYS A . n A 1 15 GLU 15 14 14 GLU GLU A . n A 1 16 ALA 16 15 15 ALA ALA A . n A 1 17 PHE 17 16 16 PHE PHE A . n A 1 18 SER 18 17 17 SER SER A . n A 1 19 LEU 19 18 18 LEU LEU A . n A 1 20 PHE 20 19 19 PHE PHE A . n A 1 21 ASP 21 20 20 ASP ASP A . n A 1 22 LYS 22 21 21 LYS LYS A . n A 1 23 ASP 23 22 22 ASP ASP A . n A 1 24 GLY 24 23 23 GLY GLY A . n A 1 25 ASP 25 24 24 ASP ASP A . n A 1 26 GLY 26 25 25 GLY GLY A . n A 1 27 THR 27 26 26 THR THR A . n A 1 28 ILE 28 27 27 ILE ILE A . n A 1 29 THR 29 28 28 THR THR A . n A 1 30 THR 30 29 29 THR THR A . n A 1 31 LYS 31 30 30 LYS LYS A . n A 1 32 GLU 32 31 31 GLU GLU A . n A 1 33 LEU 33 32 32 LEU LEU A . n A 1 34 GLY 34 33 33 GLY GLY A . n A 1 35 THR 35 34 34 THR THR A . n A 1 36 VAL 36 35 35 VAL VAL A . n A 1 37 MET 37 36 36 MET MET A . n A 1 38 ARG 38 37 37 ARG ARG A . n A 1 39 SER 39 38 38 SER SER A . n A 1 40 LEU 40 39 39 LEU LEU A . n A 1 41 GLY 41 40 40 GLY GLY A . n A 1 42 GLN 42 41 41 GLN GLN A . n A 1 43 ASN 43 42 42 ASN ASN A . n A 1 44 PRO 44 43 43 PRO PRO A . n A 1 45 THR 45 44 44 THR THR A . n A 1 46 GLU 46 45 45 GLU GLU A . n A 1 47 ALA 47 46 46 ALA ALA A . n A 1 48 GLU 48 47 47 GLU GLU A . n A 1 49 LEU 49 48 48 LEU LEU A . n A 1 50 GLN 50 49 49 GLN GLN A . n A 1 51 ASP 51 50 50 ASP ASP A . n A 1 52 MET 52 51 51 MET MET A . n A 1 53 ILE 53 52 52 ILE ILE A . n A 1 54 ASN 54 53 53 ASN ASN A . n A 1 55 GLU 55 54 54 GLU GLU A . n A 1 56 VAL 56 55 55 VAL VAL A . n A 1 57 ASP 57 56 56 ASP ASP A . n A 1 58 ALA 58 57 57 ALA ALA A . n A 1 59 ASP 59 58 58 ASP ASP A . n A 1 60 GLY 60 59 59 GLY GLY A . n A 1 61 ASN 61 60 60 ASN ASN A . n A 1 62 GLY 62 61 61 GLY GLY A . n A 1 63 THR 63 62 62 THR THR A . n A 1 64 ILE 64 63 63 ILE ILE A . n A 1 65 ASP 65 64 64 ASP ASP A . n A 1 66 PHE 66 65 65 PHE PHE A . n A 1 67 PRO 67 66 66 PRO PRO A . n A 1 68 GLU 68 67 67 GLU GLU A . n A 1 69 PHE 69 68 68 PHE PHE A . n A 1 70 LEU 70 69 69 LEU LEU A . n A 1 71 THR 71 70 70 THR THR A . n A 1 72 MET 72 71 71 MET MET A . n A 1 73 MET 73 72 72 MET MET A . n A 1 74 ALA 74 73 73 ALA ALA A . n A 1 75 ARG 75 74 74 ARG ARG A . n A 1 76 LYS 76 75 75 LYS LYS A . n A 1 77 MET 77 76 76 MET MET A . n A 1 78 LYS 78 77 77 LYS LYS A . n A 1 79 ASP 79 78 78 ASP ASP A . n A 1 80 THR 80 79 79 THR THR A . n A 1 81 ASP 81 80 80 ASP ASP A . n A 1 82 SER 82 81 81 SER SER A . n A 1 83 GLU 83 82 82 GLU GLU A . n A 1 84 GLU 84 83 83 GLU GLU A . n A 1 85 GLU 85 84 84 GLU GLU A . n A 1 86 ILE 86 85 85 ILE ILE A . n A 1 87 ARG 87 86 86 ARG ARG A . n A 1 88 GLU 88 87 87 GLU GLU A . n A 1 89 ALA 89 88 88 ALA ALA A . n A 1 90 PHE 90 89 89 PHE PHE A . n A 1 91 ARG 91 90 90 ARG ARG A . n A 1 92 VAL 92 91 91 VAL VAL A . n A 1 93 PHE 93 92 92 PHE PHE A . n A 1 94 ASP 94 93 93 ASP ASP A . n A 1 95 LYS 95 94 94 LYS LYS A . n A 1 96 ASP 96 95 95 ASP ASP A . n A 1 97 GLY 97 96 96 GLY GLY A . n A 1 98 ASN 98 97 97 ASN ASN A . n A 1 99 GLY 99 98 98 GLY GLY A . n A 1 100 TYR 100 99 99 TYR TYR A . n A 1 101 ILE 101 100 100 ILE ILE A . n A 1 102 SER 102 101 101 SER SER A . n A 1 103 ALA 103 102 102 ALA ALA A . n A 1 104 ALA 104 103 103 ALA ALA A . n A 1 105 GLU 105 104 104 GLU GLU A . n A 1 106 LEU 106 105 105 LEU LEU A . n A 1 107 ARG 107 106 106 ARG ARG A . n A 1 108 HIS 108 107 107 HIS HIS A . n A 1 109 VAL 109 108 108 VAL VAL A . n A 1 110 MET 110 109 109 MET MET A . n A 1 111 THR 111 110 110 THR THR A . n A 1 112 ASN 112 111 111 ASN ASN A . n A 1 113 LEU 113 112 112 LEU LEU A . n A 1 114 GLY 114 113 113 GLY GLY A . n A 1 115 GLU 115 114 114 GLU GLU A . n A 1 116 LYS 116 115 115 LYS LYS A . n A 1 117 LEU 117 116 116 LEU LEU A . n A 1 118 THR 118 117 117 THR THR A . n A 1 119 ASP 119 118 118 ASP ASP A . n A 1 120 GLU 120 119 119 GLU GLU A . n A 1 121 GLU 121 120 120 GLU GLU A . n A 1 122 VAL 122 121 121 VAL VAL A . n A 1 123 ASP 123 122 122 ASP ASP A . n A 1 124 GLU 124 123 123 GLU GLU A . n A 1 125 MET 125 124 124 MET MET A . n A 1 126 ILE 126 125 125 ILE ILE A . n A 1 127 ARG 127 126 126 ARG ARG A . n A 1 128 GLU 128 127 127 GLU GLU A . n A 1 129 ALA 129 128 128 ALA ALA A . n A 1 130 ASP 130 129 129 ASP ASP A . n A 1 131 ILE 131 130 130 ILE ILE A . n A 1 132 ASP 132 131 131 ASP ASP A . n A 1 133 GLY 133 132 132 GLY GLY A . n A 1 134 ASP 134 133 133 ASP ASP A . n A 1 135 GLY 135 134 134 GLY GLY A . n A 1 136 GLN 136 135 135 GLN GLN A . n A 1 137 VAL 137 136 136 VAL VAL A . n A 1 138 ASN 138 137 137 ASN ASN A . n A 1 139 TYR 139 138 138 TYR TYR A . n A 1 140 GLU 140 139 139 GLU GLU A . n A 1 141 GLU 141 140 140 GLU GLU A . n A 1 142 PHE 142 141 141 PHE PHE A . n A 1 143 VAL 143 142 142 VAL VAL A . n A 1 144 GLN 144 143 143 GLN GLN A . n A 1 145 MET 145 144 144 MET MET A . n A 1 146 MET 146 145 145 MET MET A . n A 1 147 THR 147 146 146 THR THR A . n A 1 148 ALA 148 147 147 ALA ALA A . n A 1 149 LYS 149 148 148 LYS ALA A . n B 2 1 GLY 1 765 ? ? ? B . n B 2 2 PRO 2 766 ? ? ? B . n B 2 3 GLU 3 767 ? ? ? B . n B 2 4 GLY 4 768 ? ? ? B . n B 2 5 VAL 5 769 ? ? ? B . n B 2 6 LYS 6 770 ? ? ? B . n B 2 7 ARG 7 771 ? ? ? B . n B 2 8 THR 8 772 ? ? ? B . n B 2 9 LEU 9 773 ? ? ? B . n B 2 10 SER 10 774 ? ? ? B . n B 2 11 PHE 11 775 ? ? ? B . n B 2 12 SER 12 776 ? ? ? B . n B 2 13 LEU 13 777 ? ? ? B . n B 2 14 ARG 14 778 ? ? ? B . n B 2 15 SER 15 779 ? ? ? B . n B 2 16 GLY 16 780 ? ? ? B . n B 2 17 ARG 17 781 ? ? ? B . n B 2 18 VAL 18 782 ? ? ? B . n B 2 19 SER 19 783 ? ? ? B . n B 2 20 GLY 20 784 784 GLY GLY B . n B 2 21 ARG 21 785 785 ARG ARG B . n B 2 22 ASN 22 786 786 ASN ASN B . n B 2 23 TRP 23 787 787 TRP TRP B . n B 2 24 LYS 24 788 788 LYS LYS B . n B 2 25 ASN 25 789 789 ASN ASN B . n B 2 26 PHE 26 790 790 PHE PHE B . n B 2 27 ALA 27 791 791 ALA ALA B . n B 2 28 LEU 28 792 792 LEU LEU B . n B 2 29 VAL 29 793 793 VAL VAL B . n B 2 30 PRO 30 794 794 PRO PRO B . n B 2 31 LEU 31 795 795 LEU LEU B . n B 2 32 LEU 32 796 796 LEU LEU B . n B 2 33 ARG 33 797 797 ARG ARG B . n B 2 34 ASP 34 798 798 ASP ALA B . n B 2 35 ALA 35 799 ? ? ? B . n B 2 36 SER 36 800 ? ? ? B . n B 2 37 THR 37 801 ? ? ? B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 3 CA 1 501 501 CA CA A . D 3 CA 1 502 502 CA CA A . E 3 CA 1 503 503 CA CA A . F 3 CA 1 504 504 CA CA A . G 4 SO4 1 149 1 SO4 SO4 A . H 5 HOH 1 150 1 HOH HOH A . H 5 HOH 2 151 2 HOH HOH A . H 5 HOH 3 152 3 HOH HOH A . H 5 HOH 4 153 4 HOH HOH A . H 5 HOH 5 154 5 HOH HOH A . H 5 HOH 6 155 6 HOH HOH A . H 5 HOH 7 156 7 HOH HOH A . H 5 HOH 8 157 8 HOH HOH A . H 5 HOH 9 158 9 HOH HOH A . H 5 HOH 10 159 10 HOH HOH A . H 5 HOH 11 160 11 HOH HOH A . H 5 HOH 12 161 12 HOH HOH A . H 5 HOH 13 162 13 HOH HOH A . H 5 HOH 14 163 14 HOH HOH A . H 5 HOH 15 164 15 HOH HOH A . H 5 HOH 16 165 16 HOH HOH A . H 5 HOH 17 166 17 HOH HOH A . H 5 HOH 18 167 19 HOH HOH A . H 5 HOH 19 168 20 HOH HOH A . H 5 HOH 20 169 21 HOH HOH A . H 5 HOH 21 170 22 HOH HOH A . H 5 HOH 22 171 23 HOH HOH A . H 5 HOH 23 172 24 HOH HOH A . H 5 HOH 24 173 25 HOH HOH A . H 5 HOH 25 174 26 HOH HOH A . H 5 HOH 26 175 27 HOH HOH A . H 5 HOH 27 176 28 HOH HOH A . H 5 HOH 28 177 29 HOH HOH A . H 5 HOH 29 178 30 HOH HOH A . H 5 HOH 30 179 31 HOH HOH A . H 5 HOH 31 180 32 HOH HOH A . H 5 HOH 32 181 33 HOH HOH A . H 5 HOH 33 182 34 HOH HOH A . H 5 HOH 34 183 35 HOH HOH A . H 5 HOH 35 184 36 HOH HOH A . H 5 HOH 36 185 37 HOH HOH A . H 5 HOH 37 186 38 HOH HOH A . H 5 HOH 38 187 39 HOH HOH A . H 5 HOH 39 188 40 HOH HOH A . H 5 HOH 40 189 41 HOH HOH A . H 5 HOH 41 190 42 HOH HOH A . H 5 HOH 42 191 43 HOH HOH A . H 5 HOH 43 192 44 HOH HOH A . H 5 HOH 44 193 45 HOH HOH A . H 5 HOH 45 194 46 HOH HOH A . H 5 HOH 46 195 47 HOH HOH A . H 5 HOH 47 196 48 HOH HOH A . H 5 HOH 48 197 49 HOH HOH A . H 5 HOH 49 198 50 HOH HOH A . H 5 HOH 50 199 51 HOH HOH A . H 5 HOH 51 200 52 HOH HOH A . H 5 HOH 52 201 53 HOH HOH A . H 5 HOH 53 202 54 HOH HOH A . H 5 HOH 54 203 55 HOH HOH A . H 5 HOH 55 204 56 HOH HOH A . H 5 HOH 56 205 57 HOH HOH A . H 5 HOH 57 206 58 HOH HOH A . H 5 HOH 58 207 59 HOH HOH A . H 5 HOH 59 208 60 HOH HOH A . H 5 HOH 60 209 61 HOH HOH A . H 5 HOH 61 210 62 HOH HOH A . H 5 HOH 62 211 63 HOH HOH A . H 5 HOH 63 212 64 HOH HOH A . H 5 HOH 64 213 65 HOH HOH A . H 5 HOH 65 214 66 HOH HOH A . H 5 HOH 66 215 67 HOH HOH A . H 5 HOH 67 216 69 HOH HOH A . H 5 HOH 68 217 70 HOH HOH A . H 5 HOH 69 218 71 HOH HOH A . H 5 HOH 70 219 72 HOH HOH A . H 5 HOH 71 220 73 HOH HOH A . H 5 HOH 72 221 74 HOH HOH A . H 5 HOH 73 222 76 HOH HOH A . H 5 HOH 74 223 77 HOH HOH A . H 5 HOH 75 224 79 HOH HOH A . H 5 HOH 76 225 80 HOH HOH A . H 5 HOH 77 226 81 HOH HOH A . H 5 HOH 78 227 82 HOH HOH A . H 5 HOH 79 228 83 HOH HOH A . H 5 HOH 80 229 84 HOH HOH A . H 5 HOH 81 230 86 HOH HOH A . H 5 HOH 82 231 87 HOH HOH A . H 5 HOH 83 232 88 HOH HOH A . H 5 HOH 84 233 89 HOH HOH A . H 5 HOH 85 234 90 HOH HOH A . H 5 HOH 86 235 91 HOH HOH A . H 5 HOH 87 236 92 HOH HOH A . H 5 HOH 88 237 18 HOH HOH A . H 5 HOH 89 238 75 HOH HOH A . H 5 HOH 90 239 85 HOH HOH A . I 5 HOH 1 78 78 HOH HOH B . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 2850 ? 1 MORE -24 ? 1 'SSA (A^2)' 8590 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? H HOH . ? A HOH 175 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OD2 ? A ASP 57 ? A ASP 56 ? 1_555 159.3 ? 2 O ? H HOH . ? A HOH 175 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 O ? A THR 63 ? A THR 62 ? 1_555 105.5 ? 3 OD2 ? A ASP 57 ? A ASP 56 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 O ? A THR 63 ? A THR 62 ? 1_555 90.6 ? 4 O ? H HOH . ? A HOH 175 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OD2 ? A ASP 59 ? A ASP 58 ? 1_555 77.8 ? 5 OD2 ? A ASP 57 ? A ASP 56 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OD2 ? A ASP 59 ? A ASP 58 ? 1_555 82.3 ? 6 O ? A THR 63 ? A THR 62 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OD2 ? A ASP 59 ? A ASP 58 ? 1_555 156.9 ? 7 O ? H HOH . ? A HOH 175 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OD1 ? A ASN 61 ? A ASN 60 ? 1_555 83.4 ? 8 OD2 ? A ASP 57 ? A ASP 56 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OD1 ? A ASN 61 ? A ASN 60 ? 1_555 87.0 ? 9 O ? A THR 63 ? A THR 62 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OD1 ? A ASN 61 ? A ASN 60 ? 1_555 79.1 ? 10 OD2 ? A ASP 59 ? A ASP 58 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OD1 ? A ASN 61 ? A ASN 60 ? 1_555 78.6 ? 11 O ? H HOH . ? A HOH 175 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OE1 ? A GLU 68 ? A GLU 67 ? 1_555 86.6 ? 12 OD2 ? A ASP 57 ? A ASP 56 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OE1 ? A GLU 68 ? A GLU 67 ? 1_555 109.4 ? 13 O ? A THR 63 ? A THR 62 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OE1 ? A GLU 68 ? A GLU 67 ? 1_555 80.2 ? 14 OD2 ? A ASP 59 ? A ASP 58 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OE1 ? A GLU 68 ? A GLU 67 ? 1_555 122.9 ? 15 OD1 ? A ASN 61 ? A ASN 60 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OE1 ? A GLU 68 ? A GLU 67 ? 1_555 153.7 ? 16 O ? H HOH . ? A HOH 175 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OE2 ? A GLU 68 ? A GLU 67 ? 1_555 89.3 ? 17 OD2 ? A ASP 57 ? A ASP 56 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OE2 ? A GLU 68 ? A GLU 67 ? 1_555 90.6 ? 18 O ? A THR 63 ? A THR 62 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OE2 ? A GLU 68 ? A GLU 67 ? 1_555 128.9 ? 19 OD2 ? A ASP 59 ? A ASP 58 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OE2 ? A GLU 68 ? A GLU 67 ? 1_555 73.4 ? 20 OD1 ? A ASN 61 ? A ASN 60 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OE2 ? A GLU 68 ? A GLU 67 ? 1_555 152.0 ? 21 OE1 ? A GLU 68 ? A GLU 67 ? 1_555 CA ? D CA . ? A CA 502 ? 1_555 OE2 ? A GLU 68 ? A GLU 67 ? 1_555 51.5 ? 22 O ? H HOH . ? A HOH 166 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 O ? A TYR 100 ? A TYR 99 ? 1_555 101.4 ? 23 O ? H HOH . ? A HOH 166 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OD2 ? A ASP 94 ? A ASP 93 ? 1_555 166.2 ? 24 O ? A TYR 100 ? A TYR 99 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OD2 ? A ASP 94 ? A ASP 93 ? 1_555 90.4 ? 25 O ? H HOH . ? A HOH 166 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OD1 ? A ASN 98 ? A ASN 97 ? 1_555 84.5 ? 26 O ? A TYR 100 ? A TYR 99 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OD1 ? A ASN 98 ? A ASN 97 ? 1_555 82.0 ? 27 OD2 ? A ASP 94 ? A ASP 93 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OD1 ? A ASN 98 ? A ASN 97 ? 1_555 90.2 ? 28 O ? H HOH . ? A HOH 166 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OD1 ? A ASP 96 ? A ASP 95 ? 1_555 81.4 ? 29 O ? A TYR 100 ? A TYR 99 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OD1 ? A ASP 96 ? A ASP 95 ? 1_555 156.5 ? 30 OD2 ? A ASP 94 ? A ASP 93 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OD1 ? A ASP 96 ? A ASP 95 ? 1_555 84.9 ? 31 OD1 ? A ASN 98 ? A ASN 97 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OD1 ? A ASP 96 ? A ASP 95 ? 1_555 75.1 ? 32 O ? H HOH . ? A HOH 166 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OE2 ? A GLU 105 ? A GLU 104 ? 1_555 89.8 ? 33 O ? A TYR 100 ? A TYR 99 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OE2 ? A GLU 105 ? A GLU 104 ? 1_555 77.1 ? 34 OD2 ? A ASP 94 ? A ASP 93 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OE2 ? A GLU 105 ? A GLU 104 ? 1_555 99.9 ? 35 OD1 ? A ASN 98 ? A ASN 97 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OE2 ? A GLU 105 ? A GLU 104 ? 1_555 156.7 ? 36 OD1 ? A ASP 96 ? A ASP 95 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OE2 ? A GLU 105 ? A GLU 104 ? 1_555 126.4 ? 37 O ? H HOH . ? A HOH 166 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OE1 ? A GLU 105 ? A GLU 104 ? 1_555 82.8 ? 38 O ? A TYR 100 ? A TYR 99 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OE1 ? A GLU 105 ? A GLU 104 ? 1_555 129.6 ? 39 OD2 ? A ASP 94 ? A ASP 93 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OE1 ? A GLU 105 ? A GLU 104 ? 1_555 95.2 ? 40 OD1 ? A ASN 98 ? A ASN 97 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OE1 ? A GLU 105 ? A GLU 104 ? 1_555 147.7 ? 41 OD1 ? A ASP 96 ? A ASP 95 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OE1 ? A GLU 105 ? A GLU 104 ? 1_555 73.8 ? 42 OE2 ? A GLU 105 ? A GLU 104 ? 1_555 CA ? E CA . ? A CA 503 ? 1_555 OE1 ? A GLU 105 ? A GLU 104 ? 1_555 52.6 ? 43 OD2 ? A ASP 130 ? A ASP 129 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OD2 ? A ASP 134 ? A ASP 133 ? 1_555 92.5 ? 44 OD2 ? A ASP 130 ? A ASP 129 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 O ? A GLN 136 ? A GLN 135 ? 1_555 86.7 ? 45 OD2 ? A ASP 134 ? A ASP 133 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 O ? A GLN 136 ? A GLN 135 ? 1_555 79.7 ? 46 OD2 ? A ASP 130 ? A ASP 129 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OD1 ? A ASP 132 ? A ASP 131 ? 1_555 81.8 ? 47 OD2 ? A ASP 134 ? A ASP 133 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OD1 ? A ASP 132 ? A ASP 131 ? 1_555 78.2 ? 48 O ? A GLN 136 ? A GLN 135 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OD1 ? A ASP 132 ? A ASP 131 ? 1_555 154.5 ? 49 OD2 ? A ASP 130 ? A ASP 129 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OE1 ? A GLU 141 ? A GLU 140 ? 1_555 110.0 ? 50 OD2 ? A ASP 134 ? A ASP 133 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OE1 ? A GLU 141 ? A GLU 140 ? 1_555 149.5 ? 51 O ? A GLN 136 ? A GLN 135 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OE1 ? A GLU 141 ? A GLU 140 ? 1_555 81.2 ? 52 OD1 ? A ASP 132 ? A ASP 131 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OE1 ? A GLU 141 ? A GLU 140 ? 1_555 124.1 ? 53 OD2 ? A ASP 130 ? A ASP 129 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 O ? H HOH . ? A HOH 159 ? 1_555 165.7 ? 54 OD2 ? A ASP 134 ? A ASP 133 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 O ? H HOH . ? A HOH 159 ? 1_555 80.0 ? 55 O ? A GLN 136 ? A GLN 135 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 O ? H HOH . ? A HOH 159 ? 1_555 103.8 ? 56 OD1 ? A ASP 132 ? A ASP 131 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 O ? H HOH . ? A HOH 159 ? 1_555 84.7 ? 57 OE1 ? A GLU 141 ? A GLU 140 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 O ? H HOH . ? A HOH 159 ? 1_555 81.6 ? 58 OD2 ? A ASP 130 ? A ASP 129 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OE2 ? A GLU 141 ? A GLU 140 ? 1_555 85.7 ? 59 OD2 ? A ASP 134 ? A ASP 133 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OE2 ? A GLU 141 ? A GLU 140 ? 1_555 155.2 ? 60 O ? A GLN 136 ? A GLN 135 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OE2 ? A GLU 141 ? A GLU 140 ? 1_555 124.7 ? 61 OD1 ? A ASP 132 ? A ASP 131 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OE2 ? A GLU 141 ? A GLU 140 ? 1_555 77.1 ? 62 OE1 ? A GLU 141 ? A GLU 140 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OE2 ? A GLU 141 ? A GLU 140 ? 1_555 51.1 ? 63 O ? H HOH . ? A HOH 159 ? 1_555 CA ? F CA . ? A CA 504 ? 1_555 OE2 ? A GLU 141 ? A GLU 140 ? 1_555 96.0 ? 64 O ? A THR 27 ? A THR 26 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OD1 ? A ASP 21 ? A ASP 20 ? 1_555 83.8 ? 65 O ? A THR 27 ? A THR 26 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? H HOH . ? A HOH 195 ? 1_555 116.5 ? 66 OD1 ? A ASP 21 ? A ASP 20 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? H HOH . ? A HOH 195 ? 1_555 157.6 ? 67 O ? A THR 27 ? A THR 26 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OE2 ? A GLU 32 ? A GLU 31 ? 1_555 122.5 ? 68 OD1 ? A ASP 21 ? A ASP 20 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OE2 ? A GLU 32 ? A GLU 31 ? 1_555 94.3 ? 69 O ? H HOH . ? A HOH 195 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OE2 ? A GLU 32 ? A GLU 31 ? 1_555 82.9 ? 70 O ? A THR 27 ? A THR 26 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OD2 ? A ASP 25 ? A ASP 24 ? 1_555 81.7 ? 71 OD1 ? A ASP 21 ? A ASP 20 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OD2 ? A ASP 25 ? A ASP 24 ? 1_555 83.1 ? 72 O ? H HOH . ? A HOH 195 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OD2 ? A ASP 25 ? A ASP 24 ? 1_555 90.3 ? 73 OE2 ? A GLU 32 ? A GLU 31 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OD2 ? A ASP 25 ? A ASP 24 ? 1_555 155.4 ? 74 O ? A THR 27 ? A THR 26 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OE1 ? A GLU 32 ? A GLU 31 ? 1_555 77.2 ? 75 OD1 ? A ASP 21 ? A ASP 20 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OE1 ? A GLU 32 ? A GLU 31 ? 1_555 117.2 ? 76 O ? H HOH . ? A HOH 195 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OE1 ? A GLU 32 ? A GLU 31 ? 1_555 78.6 ? 77 OE2 ? A GLU 32 ? A GLU 31 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OE1 ? A GLU 32 ? A GLU 31 ? 1_555 52.8 ? 78 OD2 ? A ASP 25 ? A ASP 24 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OE1 ? A GLU 32 ? A GLU 31 ? 1_555 148.5 ? 79 O ? A THR 27 ? A THR 26 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OD1 ? A ASP 23 ? A ASP 22 ? 1_555 153.8 ? 80 OD1 ? A ASP 21 ? A ASP 20 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OD1 ? A ASP 23 ? A ASP 22 ? 1_555 75.9 ? 81 O ? H HOH . ? A HOH 195 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OD1 ? A ASP 23 ? A ASP 22 ? 1_555 81.8 ? 82 OE2 ? A GLU 32 ? A GLU 31 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OD1 ? A ASP 23 ? A ASP 22 ? 1_555 76.1 ? 83 OD2 ? A ASP 25 ? A ASP 24 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OD1 ? A ASP 23 ? A ASP 22 ? 1_555 79.6 ? 84 OE1 ? A GLU 32 ? A GLU 31 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 OD1 ? A ASP 23 ? A ASP 22 ? 1_555 126.8 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2012-09-12 2 'Structure model' 1 1 2012-11-14 3 'Structure model' 1 2 2017-11-08 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -5.9420 -25.8990 -17.7520 0.3192 0.1938 0.0356 0.0009 0.0272 -0.0085 2.3932 3.2130 5.9637 -1.1152 1.2655 -1.8376 0.1125 0.1300 -0.0104 -0.2230 -0.0082 -0.0218 0.2080 -0.2905 -0.1043 'X-RAY DIFFRACTION' 2 ? refined -12.4150 -9.6580 -6.2110 0.3531 0.1727 0.0478 -0.0116 0.0095 0.0079 3.2946 3.7392 2.6175 -1.8878 -0.4618 0.0066 0.0013 0.1104 -0.0225 -0.1786 -0.0292 -0.1591 0.1166 0.0833 0.0279 'X-RAY DIFFRACTION' 3 ? refined -11.3290 -17.9790 -12.6830 0.3192 0.2687 0.0575 0.0318 0.0243 -0.0702 11.4538 30.8631 13.1870 0.7982 -1.6430 0.5393 0.1270 0.2760 -0.1402 -0.8867 -0.2584 0.2787 -0.0152 -0.2764 0.1314 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 3 ? ? A 80 ? ? ? ? 'X-RAY DIFFRACTION' 2 1 A 501 ? ? A 502 ? ? ? ? 'X-RAY DIFFRACTION' 3 2 A 81 ? ? A 148 ? ? ? ? 'X-RAY DIFFRACTION' 4 2 A 503 ? ? A 504 ? ? ? ? 'X-RAY DIFFRACTION' 5 3 B 784 ? ? B 798 ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal DENZO 'data reduction' . ? 1 SCALEPACK 'data scaling' . ? 2 MOLREP phasing . ? 3 REFMAC refinement 5.5.0102 ? 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OD1 A ASN 53 ? B O A HOH 234 ? ? 2.02 2 1 OE2 A GLU 139 ? A O A HOH 227 ? ? 2.05 3 1 OE2 A GLU 123 ? B NH1 A ARG 126 ? ? 2.09 4 1 OD1 A ASN 53 ? B O A HOH 235 ? ? 2.18 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CB _pdbx_validate_rmsd_bond.auth_asym_id_1 B _pdbx_validate_rmsd_bond.auth_comp_id_1 TRP _pdbx_validate_rmsd_bond.auth_seq_id_1 787 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 A _pdbx_validate_rmsd_bond.auth_atom_id_2 CG _pdbx_validate_rmsd_bond.auth_asym_id_2 B _pdbx_validate_rmsd_bond.auth_comp_id_2 TRP _pdbx_validate_rmsd_bond.auth_seq_id_2 787 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 A _pdbx_validate_rmsd_bond.bond_value 1.637 _pdbx_validate_rmsd_bond.bond_target_value 1.498 _pdbx_validate_rmsd_bond.bond_deviation 0.139 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.018 _pdbx_validate_rmsd_bond.linker_flag N # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CA _pdbx_validate_rmsd_angle.auth_asym_id_1 B _pdbx_validate_rmsd_angle.auth_comp_id_1 TRP _pdbx_validate_rmsd_angle.auth_seq_id_1 787 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 A _pdbx_validate_rmsd_angle.auth_atom_id_2 CB _pdbx_validate_rmsd_angle.auth_asym_id_2 B _pdbx_validate_rmsd_angle.auth_comp_id_2 TRP _pdbx_validate_rmsd_angle.auth_seq_id_2 787 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 A _pdbx_validate_rmsd_angle.auth_atom_id_3 CG _pdbx_validate_rmsd_angle.auth_asym_id_3 B _pdbx_validate_rmsd_angle.auth_comp_id_3 TRP _pdbx_validate_rmsd_angle.auth_seq_id_3 787 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 A _pdbx_validate_rmsd_angle.angle_value 127.51 _pdbx_validate_rmsd_angle.angle_target_value 113.70 _pdbx_validate_rmsd_angle.angle_deviation 13.81 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.90 _pdbx_validate_rmsd_angle.linker_flag N # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A GLU 7 ? CG ? A GLU 8 CG 2 1 Y 1 A GLU 7 ? CD ? A GLU 8 CD 3 1 Y 1 A GLU 7 ? OE1 ? A GLU 8 OE1 4 1 Y 1 A GLU 7 ? OE2 ? A GLU 8 OE2 5 1 Y 1 A LYS 148 ? CG ? A LYS 149 CG 6 1 Y 1 A LYS 148 ? CD ? A LYS 149 CD 7 1 Y 1 A LYS 148 ? CE ? A LYS 149 CE 8 1 Y 1 A LYS 148 ? NZ ? A LYS 149 NZ 9 1 Y 1 B ASP 798 ? CG ? B ASP 34 CG 10 1 Y 1 B ASP 798 ? OD1 ? B ASP 34 OD1 11 1 Y 1 B ASP 798 ? OD2 ? B ASP 34 OD2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A MET 0 ? A MET 1 2 1 Y 1 A ALA 1 ? A ALA 2 3 1 Y 1 A ASP 2 ? A ASP 3 4 1 Y 1 B GLY 765 ? B GLY 1 5 1 Y 1 B PRO 766 ? B PRO 2 6 1 Y 1 B GLU 767 ? B GLU 3 7 1 Y 1 B GLY 768 ? B GLY 4 8 1 Y 1 B VAL 769 ? B VAL 5 9 1 Y 1 B LYS 770 ? B LYS 6 10 1 Y 1 B ARG 771 ? B ARG 7 11 1 Y 1 B THR 772 ? B THR 8 12 1 Y 1 B LEU 773 ? B LEU 9 13 1 Y 1 B SER 774 ? B SER 10 14 1 Y 1 B PHE 775 ? B PHE 11 15 1 Y 1 B SER 776 ? B SER 12 16 1 Y 1 B LEU 777 ? B LEU 13 17 1 Y 1 B ARG 778 ? B ARG 14 18 1 Y 1 B SER 779 ? B SER 15 19 1 Y 1 B GLY 780 ? B GLY 16 20 1 Y 1 B ARG 781 ? B ARG 17 21 1 Y 1 B VAL 782 ? B VAL 18 22 1 Y 1 B SER 783 ? B SER 19 23 1 Y 1 B ALA 799 ? B ALA 35 24 1 Y 1 B SER 800 ? B SER 36 25 1 Y 1 B THR 801 ? B THR 37 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 'CALCIUM ION' CA 4 'SULFATE ION' SO4 5 water HOH #