data_3E7K # _entry.id 3E7K # _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 3E7K RCSB RCSB048974 WWPDB D_1000048974 # _pdbx_database_status.entry_id 3E7K _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2008-08-18 _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Fujiwara, Y.' 1 'Minor, D.L.' 2 # _citation.id primary _citation.title 'X-ray crystal structure of a TRPM assembly domain reveals an antiparallel four-stranded coiled-coil.' _citation.journal_abbrev J.Mol.Biol. _citation.journal_volume 383 _citation.page_first 854 _citation.page_last 870 _citation.year 2008 _citation.journal_id_ASTM JMOBAK _citation.country UK _citation.journal_id_ISSN 0022-2836 _citation.journal_id_CSD 0070 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 18782578 _citation.pdbx_database_id_DOI 10.1016/j.jmb.2008.08.059 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Fujiwara, Y.' 1 primary 'Minor, D.L.' 2 # _cell.length_a 146.258 _cell.length_b 35.674 _cell.length_c 100.322 _cell.angle_alpha 90.000 _cell.angle_beta 124.460 _cell.angle_gamma 90.000 _cell.entry_id 3E7K _cell.pdbx_unique_axis ? _cell.Z_PDB 32 _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.space_group_name_H-M 'C 1 2 1' _symmetry.entry_id 3E7K _symmetry.Int_Tables_number 5 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _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 'TRPM7 channel' 6254.092 8 ? ? ? ? 2 water nat water 18.015 296 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code GAGSRVTFERVEQMSIQIKEVGDRVNYIKRSLQSLDSQIGHLQDLSALTVDTLKTL _entity_poly.pdbx_seq_one_letter_code_can GAGSRVTFERVEQMSIQIKEVGDRVNYIKRSLQSLDSQIGHLQDLSALTVDTLKTL _entity_poly.pdbx_strand_id A,B,C,D,E,F,G,H _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLY n 1 2 ALA n 1 3 GLY n 1 4 SER n 1 5 ARG n 1 6 VAL n 1 7 THR n 1 8 PHE n 1 9 GLU n 1 10 ARG n 1 11 VAL n 1 12 GLU n 1 13 GLN n 1 14 MET n 1 15 SER n 1 16 ILE n 1 17 GLN n 1 18 ILE n 1 19 LYS n 1 20 GLU n 1 21 VAL n 1 22 GLY n 1 23 ASP n 1 24 ARG n 1 25 VAL n 1 26 ASN n 1 27 TYR n 1 28 ILE n 1 29 LYS n 1 30 ARG n 1 31 SER n 1 32 LEU n 1 33 GLN n 1 34 SER n 1 35 LEU n 1 36 ASP n 1 37 SER n 1 38 GLN n 1 39 ILE n 1 40 GLY n 1 41 HIS n 1 42 LEU n 1 43 GLN n 1 44 ASP n 1 45 LEU n 1 46 SER n 1 47 ALA n 1 48 LEU n 1 49 THR n 1 50 VAL n 1 51 ASP n 1 52 THR n 1 53 LEU n 1 54 LYS n 1 55 THR n 1 56 LEU n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _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 rat _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 'Rattus norvegicus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10116 _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 'Escherichia coli' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 _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 'BL21(DE3)pLysS' _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 plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pSV272 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ;'GAGS' IS AN EXPRESSION TAG ; # _struct_ref.id 1 _struct_ref.db_name PDB _struct_ref.db_code 3E7K _struct_ref.pdbx_db_accession 3E7K _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code GAGSRVTFERVEQMSIQIKEVGDRVNYIKRSLQSLDSQIGHLQDLSALTVDTLKTL _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_db_isoform ? # 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 3E7K A 1 ? 56 ? 3E7K 1 ? 56 ? 1 56 2 1 3E7K B 1 ? 56 ? 3E7K 1 ? 56 ? 1 56 3 1 3E7K C 1 ? 56 ? 3E7K 1 ? 56 ? 1 56 4 1 3E7K D 1 ? 56 ? 3E7K 1 ? 56 ? 1 56 5 1 3E7K E 1 ? 56 ? 3E7K 1 ? 56 ? 1 56 6 1 3E7K F 1 ? 56 ? 3E7K 1 ? 56 ? 1 56 7 1 3E7K G 1 ? 56 ? 3E7K 1 ? 56 ? 1 56 8 1 3E7K H 1 ? 56 ? 3E7K 1 ? 56 ? 1 56 # 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 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 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 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.crystals_number 1 _exptl.entry_id 3E7K _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 2.16 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 42.96 _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.pH 8.0 _exptl_crystal_grow.temp 292 _exptl_crystal_grow.pdbx_details '0.1 M MgCl2, 0.1 M Tris, 5-10% Isopropanol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range ? # _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 'MARMOSAIC 325 mm CCD' _diffrn_detector.pdbx_collection_date 2006-12-19 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator 'Double flat crystal, Si(111)' _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9796 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL9-2' _diffrn_source.pdbx_wavelength_list 0.9796 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL9-2 # _reflns.entry_id 3E7K _reflns.d_resolution_high 2.000 _reflns.d_resolution_low 50.000 _reflns.number_obs 28234 _reflns.pdbx_Rmerge_I_obs 0.121 _reflns.pdbx_chi_squared 1.331 _reflns.pdbx_redundancy 3.300 _reflns.percent_possible_obs 97.700 _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.number_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _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_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.00 _reflns_shell.d_res_low 2.07 _reflns_shell.number_measured_obs ? _reflns_shell.number_measured_all ? _reflns_shell.number_unique_obs ? _reflns_shell.Rmerge_I_obs 0.359 _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared 0.928 _reflns_shell.pdbx_redundancy 2.80 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 2456 _reflns_shell.percent_possible_all 85.40 _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3E7K _refine.ls_d_res_high 2.010 _refine.ls_d_res_low 30.000 _refine.pdbx_ls_sigma_F 0.00 _refine.ls_percent_reflns_obs 97.180 _refine.ls_number_reflns_obs 28201 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_R_Free_selection_details RANDOM _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.ls_R_factor_obs 0.191 _refine.ls_R_factor_R_work 0.188 _refine.ls_wR_factor_R_work 0.214 _refine.ls_R_factor_R_free 0.248 _refine.ls_wR_factor_R_free 0.263 _refine.ls_percent_reflns_R_free 5.100 _refine.ls_number_reflns_R_free 1436 _refine.B_iso_mean 27.493 _refine.aniso_B[1][1] 0.600 _refine.aniso_B[2][2] -0.520 _refine.aniso_B[3][3] 1.580 _refine.aniso_B[1][2] 0.000 _refine.aniso_B[1][3] 1.460 _refine.aniso_B[2][3] 0.000 _refine.correlation_coeff_Fo_to_Fc 0.953 _refine.correlation_coeff_Fo_to_Fc_free 0.921 _refine.overall_SU_R_Cruickshank_DPI 0.233 _refine.overall_SU_R_free 0.192 _refine.pdbx_overall_ESU_R 0.214 _refine.pdbx_overall_ESU_R_Free 0.190 _refine.overall_SU_ML 0.148 _refine.overall_SU_B 10.415 _refine.solvent_model_details MASK _refine.pdbx_solvent_vdw_probe_radii 1.200 _refine.pdbx_solvent_ion_probe_radii 0.800 _refine.pdbx_solvent_shrinkage_radii 0.800 _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.overall_FOM_work_R_set 0.797 _refine.B_iso_max 54.58 _refine.B_iso_min 11.73 _refine.occupancy_max 1.00 _refine.occupancy_min 0.50 _refine.pdbx_ls_sigma_I ? _refine.ls_number_reflns_all ? _refine.ls_R_factor_all ? _refine.ls_redundancy_reflns_obs ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_starting_model ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' _refine.pdbx_diffrn_id 1 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3372 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 296 _refine_hist.number_atoms_total 3668 _refine_hist.d_res_high 2.010 _refine_hist.d_res_low 30.000 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 3388 0.021 0.022 ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 4553 1.783 1.968 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 424 5.110 5.000 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 155 38.743 24.323 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 668 16.790 15.000 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 32 16.193 15.000 ? 'X-RAY DIFFRACTION' ? r_chiral_restr 562 0.119 0.200 ? 'X-RAY DIFFRACTION' ? r_gen_planes_refined 2420 0.008 0.020 ? 'X-RAY DIFFRACTION' ? r_mcbond_it 2127 1.776 2.000 ? 'X-RAY DIFFRACTION' ? r_mcangle_it 3446 2.875 3.000 ? 'X-RAY DIFFRACTION' ? r_scbond_it 1261 2.451 2.000 ? 'X-RAY DIFFRACTION' ? r_scangle_it 1107 3.791 3.000 ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.d_res_high 2.010 _refine_ls_shell.d_res_low 2.061 _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.percent_reflns_obs 77.740 _refine_ls_shell.number_reflns_R_work 1550 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_R_work 0.234 _refine_ls_shell.R_factor_R_free 0.309 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 74 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.number_reflns_all 1624 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3E7K _struct.title 'Crystal Structure of an antiparallel coiled-coil tetramerization domain from TRPM7 channels' _struct.pdbx_descriptor 'Transient receptor potential cation channel subfamily M member 7 (E.C.2.7.11.1)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3E7K _struct_keywords.text 'Coiled-coil, antiparallel, Ion Channel, Assembly domain, TRPM channel, TRPM7, MEMBRANE PROTEIN' _struct_keywords.pdbx_keywords 'MEMBRANE 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 1 ? C N N 1 ? D N N 1 ? E N N 1 ? F N N 1 ? G N N 1 ? H N N 1 ? I N N 2 ? J N N 2 ? K N N 2 ? L N N 2 ? M N N 2 ? N N N 2 ? O N N 2 ? P N N 2 ? # _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 ALA A 2 ? THR A 55 ? ALA A 2 THR A 55 1 ? 54 HELX_P HELX_P2 2 GLY B 1 ? LYS B 54 ? GLY B 1 LYS B 54 1 ? 54 HELX_P HELX_P3 3 GLY C 3 ? THR C 55 ? GLY C 3 THR C 55 1 ? 53 HELX_P HELX_P4 4 SER D 4 ? THR D 55 ? SER D 4 THR D 55 1 ? 52 HELX_P HELX_P5 5 SER E 4 ? LEU E 56 ? SER E 4 LEU E 56 1 ? 53 HELX_P HELX_P6 6 GLY F 3 ? LEU F 56 ? GLY F 3 LEU F 56 1 ? 54 HELX_P HELX_P7 7 SER G 4 ? THR G 55 ? SER G 4 THR G 55 1 ? 52 HELX_P HELX_P8 8 GLY H 1 ? LYS H 54 ? GLY H 1 LYS H 54 1 ? 54 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _atom_sites.entry_id 3E7K _atom_sites.fract_transf_matrix[1][1] 0.006837 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004691 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.028032 _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] 0.012089 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C 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 GLY 1 1 ? ? ? A . n A 1 2 ALA 2 2 2 ALA ALA A . n A 1 3 GLY 3 3 3 GLY GLY A . n A 1 4 SER 4 4 4 SER SER A . n A 1 5 ARG 5 5 5 ARG ARG A . n A 1 6 VAL 6 6 6 VAL VAL A . n A 1 7 THR 7 7 7 THR THR A . n A 1 8 PHE 8 8 8 PHE PHE A . n A 1 9 GLU 9 9 9 GLU GLU A . n A 1 10 ARG 10 10 10 ARG ARG A . n A 1 11 VAL 11 11 11 VAL VAL A . n A 1 12 GLU 12 12 12 GLU GLU A . n A 1 13 GLN 13 13 13 GLN GLN A . n A 1 14 MET 14 14 14 MET MET A . n A 1 15 SER 15 15 15 SER SER A . n A 1 16 ILE 16 16 16 ILE ILE A . n A 1 17 GLN 17 17 17 GLN GLN A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 LYS 19 19 19 LYS LYS A . n A 1 20 GLU 20 20 20 GLU GLU A . n A 1 21 VAL 21 21 21 VAL VAL A . n A 1 22 GLY 22 22 22 GLY GLY A . n A 1 23 ASP 23 23 23 ASP ASP A . n A 1 24 ARG 24 24 24 ARG ARG A . n A 1 25 VAL 25 25 25 VAL VAL A . n A 1 26 ASN 26 26 26 ASN ASN A . n A 1 27 TYR 27 27 27 TYR TYR A . n A 1 28 ILE 28 28 28 ILE ILE A . n A 1 29 LYS 29 29 29 LYS LYS A . n A 1 30 ARG 30 30 30 ARG ARG A . n A 1 31 SER 31 31 31 SER SER A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 GLN 33 33 33 GLN GLN A . n A 1 34 SER 34 34 34 SER SER A . n A 1 35 LEU 35 35 35 LEU LEU A . n A 1 36 ASP 36 36 36 ASP ASP A . n A 1 37 SER 37 37 37 SER SER A . n A 1 38 GLN 38 38 38 GLN GLN A . n A 1 39 ILE 39 39 39 ILE ILE A . n A 1 40 GLY 40 40 40 GLY GLY A . n A 1 41 HIS 41 41 41 HIS HIS A . n A 1 42 LEU 42 42 42 LEU LEU A . n A 1 43 GLN 43 43 43 GLN GLN A . n A 1 44 ASP 44 44 44 ASP ASP A . n A 1 45 LEU 45 45 45 LEU LEU A . n A 1 46 SER 46 46 46 SER SER A . n A 1 47 ALA 47 47 47 ALA ALA A . n A 1 48 LEU 48 48 48 LEU LEU A . n A 1 49 THR 49 49 49 THR THR A . n A 1 50 VAL 50 50 50 VAL VAL A . n A 1 51 ASP 51 51 51 ASP ASP A . n A 1 52 THR 52 52 52 THR THR A . n A 1 53 LEU 53 53 53 LEU LEU A . n A 1 54 LYS 54 54 54 LYS LYS A . n A 1 55 THR 55 55 55 THR THR A . n A 1 56 LEU 56 56 ? ? ? A . n B 1 1 GLY 1 1 1 GLY GLY B . n B 1 2 ALA 2 2 2 ALA ALA B . n B 1 3 GLY 3 3 3 GLY GLY B . n B 1 4 SER 4 4 4 SER SER B . n B 1 5 ARG 5 5 5 ARG ARG B . n B 1 6 VAL 6 6 6 VAL VAL B . n B 1 7 THR 7 7 7 THR THR B . n B 1 8 PHE 8 8 8 PHE PHE B . n B 1 9 GLU 9 9 9 GLU GLU B . n B 1 10 ARG 10 10 10 ARG ARG B . n B 1 11 VAL 11 11 11 VAL VAL B . n B 1 12 GLU 12 12 12 GLU GLU B . n B 1 13 GLN 13 13 13 GLN GLN B . n B 1 14 MET 14 14 14 MET MET B . n B 1 15 SER 15 15 15 SER SER B . n B 1 16 ILE 16 16 16 ILE ILE B . n B 1 17 GLN 17 17 17 GLN GLN B . n B 1 18 ILE 18 18 18 ILE ILE B . n B 1 19 LYS 19 19 19 LYS LYS B . n B 1 20 GLU 20 20 20 GLU GLU B . n B 1 21 VAL 21 21 21 VAL VAL B . n B 1 22 GLY 22 22 22 GLY GLY B . n B 1 23 ASP 23 23 23 ASP ASP B . n B 1 24 ARG 24 24 24 ARG ARG B . n B 1 25 VAL 25 25 25 VAL VAL B . n B 1 26 ASN 26 26 26 ASN ASN B . n B 1 27 TYR 27 27 27 TYR TYR B . n B 1 28 ILE 28 28 28 ILE ILE B . n B 1 29 LYS 29 29 29 LYS LYS B . n B 1 30 ARG 30 30 30 ARG ARG B . n B 1 31 SER 31 31 31 SER SER B . n B 1 32 LEU 32 32 32 LEU LEU B . n B 1 33 GLN 33 33 33 GLN GLN B . n B 1 34 SER 34 34 34 SER SER B . n B 1 35 LEU 35 35 35 LEU LEU B . n B 1 36 ASP 36 36 36 ASP ASP B . n B 1 37 SER 37 37 37 SER SER B . n B 1 38 GLN 38 38 38 GLN GLN B . n B 1 39 ILE 39 39 39 ILE ILE B . n B 1 40 GLY 40 40 40 GLY GLY B . n B 1 41 HIS 41 41 41 HIS HIS B . n B 1 42 LEU 42 42 42 LEU LEU B . n B 1 43 GLN 43 43 43 GLN GLN B . n B 1 44 ASP 44 44 44 ASP ASP B . n B 1 45 LEU 45 45 45 LEU LEU B . n B 1 46 SER 46 46 46 SER SER B . n B 1 47 ALA 47 47 47 ALA ALA B . n B 1 48 LEU 48 48 48 LEU LEU B . n B 1 49 THR 49 49 49 THR THR B . n B 1 50 VAL 50 50 50 VAL VAL B . n B 1 51 ASP 51 51 51 ASP ASP B . n B 1 52 THR 52 52 52 THR THR B . n B 1 53 LEU 53 53 53 LEU LEU B . n B 1 54 LYS 54 54 54 LYS LYS B . n B 1 55 THR 55 55 55 THR THR B . n B 1 56 LEU 56 56 ? ? ? B . n C 1 1 GLY 1 1 ? ? ? C . n C 1 2 ALA 2 2 ? ? ? C . n C 1 3 GLY 3 3 3 GLY GLY C . n C 1 4 SER 4 4 4 SER SER C . n C 1 5 ARG 5 5 5 ARG ARG C . n C 1 6 VAL 6 6 6 VAL VAL C . n C 1 7 THR 7 7 7 THR THR C . n C 1 8 PHE 8 8 8 PHE PHE C . n C 1 9 GLU 9 9 9 GLU GLU C . n C 1 10 ARG 10 10 10 ARG ARG C . n C 1 11 VAL 11 11 11 VAL VAL C . n C 1 12 GLU 12 12 12 GLU GLU C . n C 1 13 GLN 13 13 13 GLN GLN C . n C 1 14 MET 14 14 14 MET MET C . n C 1 15 SER 15 15 15 SER SER C . n C 1 16 ILE 16 16 16 ILE ILE C . n C 1 17 GLN 17 17 17 GLN GLN C . n C 1 18 ILE 18 18 18 ILE ILE C . n C 1 19 LYS 19 19 19 LYS LYS C . n C 1 20 GLU 20 20 20 GLU GLU C . n C 1 21 VAL 21 21 21 VAL VAL C . n C 1 22 GLY 22 22 22 GLY GLY C . n C 1 23 ASP 23 23 23 ASP ASP C . n C 1 24 ARG 24 24 24 ARG ARG C . n C 1 25 VAL 25 25 25 VAL VAL C . n C 1 26 ASN 26 26 26 ASN ASN C . n C 1 27 TYR 27 27 27 TYR TYR C . n C 1 28 ILE 28 28 28 ILE ILE C . n C 1 29 LYS 29 29 29 LYS LYS C . n C 1 30 ARG 30 30 30 ARG ARG C . n C 1 31 SER 31 31 31 SER SER C . n C 1 32 LEU 32 32 32 LEU LEU C . n C 1 33 GLN 33 33 33 GLN GLN C . n C 1 34 SER 34 34 34 SER SER C . n C 1 35 LEU 35 35 35 LEU LEU C . n C 1 36 ASP 36 36 36 ASP ASP C . n C 1 37 SER 37 37 37 SER SER C . n C 1 38 GLN 38 38 38 GLN GLN C . n C 1 39 ILE 39 39 39 ILE ILE C . n C 1 40 GLY 40 40 40 GLY GLY C . n C 1 41 HIS 41 41 41 HIS HIS C . n C 1 42 LEU 42 42 42 LEU LEU C . n C 1 43 GLN 43 43 43 GLN GLN C . n C 1 44 ASP 44 44 44 ASP ASP C . n C 1 45 LEU 45 45 45 LEU LEU C . n C 1 46 SER 46 46 46 SER SER C . n C 1 47 ALA 47 47 47 ALA ALA C . n C 1 48 LEU 48 48 48 LEU LEU C . n C 1 49 THR 49 49 49 THR THR C . n C 1 50 VAL 50 50 50 VAL VAL C . n C 1 51 ASP 51 51 51 ASP ASP C . n C 1 52 THR 52 52 52 THR THR C . n C 1 53 LEU 53 53 53 LEU LEU C . n C 1 54 LYS 54 54 54 LYS LYS C . n C 1 55 THR 55 55 55 THR THR C . n C 1 56 LEU 56 56 ? ? ? C . n D 1 1 GLY 1 1 ? ? ? D . n D 1 2 ALA 2 2 ? ? ? D . n D 1 3 GLY 3 3 ? ? ? D . n D 1 4 SER 4 4 4 SER SER D . n D 1 5 ARG 5 5 5 ARG ARG D . n D 1 6 VAL 6 6 6 VAL VAL D . n D 1 7 THR 7 7 7 THR THR D . n D 1 8 PHE 8 8 8 PHE PHE D . n D 1 9 GLU 9 9 9 GLU GLU D . n D 1 10 ARG 10 10 10 ARG ARG D . n D 1 11 VAL 11 11 11 VAL VAL D . n D 1 12 GLU 12 12 12 GLU GLU D . n D 1 13 GLN 13 13 13 GLN GLN D . n D 1 14 MET 14 14 14 MET MET D . n D 1 15 SER 15 15 15 SER SER D . n D 1 16 ILE 16 16 16 ILE ILE D . n D 1 17 GLN 17 17 17 GLN GLN D . n D 1 18 ILE 18 18 18 ILE ILE D . n D 1 19 LYS 19 19 19 LYS LYS D . n D 1 20 GLU 20 20 20 GLU GLU D . n D 1 21 VAL 21 21 21 VAL VAL D . n D 1 22 GLY 22 22 22 GLY GLY D . n D 1 23 ASP 23 23 23 ASP ASP D . n D 1 24 ARG 24 24 24 ARG ARG D . n D 1 25 VAL 25 25 25 VAL VAL D . n D 1 26 ASN 26 26 26 ASN ASN D . n D 1 27 TYR 27 27 27 TYR TYR D . n D 1 28 ILE 28 28 28 ILE ILE D . n D 1 29 LYS 29 29 29 LYS LYS D . n D 1 30 ARG 30 30 30 ARG ARG D . n D 1 31 SER 31 31 31 SER SER D . n D 1 32 LEU 32 32 32 LEU LEU D . n D 1 33 GLN 33 33 33 GLN GLN D . n D 1 34 SER 34 34 34 SER SER D . n D 1 35 LEU 35 35 35 LEU LEU D . n D 1 36 ASP 36 36 36 ASP ASP D . n D 1 37 SER 37 37 37 SER SER D . n D 1 38 GLN 38 38 38 GLN GLN D . n D 1 39 ILE 39 39 39 ILE ILE D . n D 1 40 GLY 40 40 40 GLY GLY D . n D 1 41 HIS 41 41 41 HIS HIS D . n D 1 42 LEU 42 42 42 LEU LEU D . n D 1 43 GLN 43 43 43 GLN GLN D . n D 1 44 ASP 44 44 44 ASP ASP D . n D 1 45 LEU 45 45 45 LEU LEU D . n D 1 46 SER 46 46 46 SER SER D . n D 1 47 ALA 47 47 47 ALA ALA D . n D 1 48 LEU 48 48 48 LEU LEU D . n D 1 49 THR 49 49 49 THR THR D . n D 1 50 VAL 50 50 50 VAL VAL D . n D 1 51 ASP 51 51 51 ASP ASP D . n D 1 52 THR 52 52 52 THR THR D . n D 1 53 LEU 53 53 53 LEU LEU D . n D 1 54 LYS 54 54 54 LYS LYS D . n D 1 55 THR 55 55 55 THR THR D . n D 1 56 LEU 56 56 56 LEU LEU D . n E 1 1 GLY 1 1 ? ? ? E . n E 1 2 ALA 2 2 2 ALA ALA E . n E 1 3 GLY 3 3 3 GLY GLY E . n E 1 4 SER 4 4 4 SER SER E . n E 1 5 ARG 5 5 5 ARG ARG E . n E 1 6 VAL 6 6 6 VAL VAL E . n E 1 7 THR 7 7 7 THR THR E . n E 1 8 PHE 8 8 8 PHE PHE E . n E 1 9 GLU 9 9 9 GLU GLU E . n E 1 10 ARG 10 10 10 ARG ARG E . n E 1 11 VAL 11 11 11 VAL VAL E . n E 1 12 GLU 12 12 12 GLU GLU E . n E 1 13 GLN 13 13 13 GLN GLN E . n E 1 14 MET 14 14 14 MET MET E . n E 1 15 SER 15 15 15 SER SER E . n E 1 16 ILE 16 16 16 ILE ILE E . n E 1 17 GLN 17 17 17 GLN GLN E . n E 1 18 ILE 18 18 18 ILE ILE E . n E 1 19 LYS 19 19 19 LYS LYS E . n E 1 20 GLU 20 20 20 GLU GLU E . n E 1 21 VAL 21 21 21 VAL VAL E . n E 1 22 GLY 22 22 22 GLY GLY E . n E 1 23 ASP 23 23 23 ASP ASP E . n E 1 24 ARG 24 24 24 ARG ARG E . n E 1 25 VAL 25 25 25 VAL VAL E . n E 1 26 ASN 26 26 26 ASN ASN E . n E 1 27 TYR 27 27 27 TYR TYR E . n E 1 28 ILE 28 28 28 ILE ILE E . n E 1 29 LYS 29 29 29 LYS LYS E . n E 1 30 ARG 30 30 30 ARG ARG E . n E 1 31 SER 31 31 31 SER SER E . n E 1 32 LEU 32 32 32 LEU LEU E . n E 1 33 GLN 33 33 33 GLN GLN E . n E 1 34 SER 34 34 34 SER SER E . n E 1 35 LEU 35 35 35 LEU LEU E . n E 1 36 ASP 36 36 36 ASP ASP E . n E 1 37 SER 37 37 37 SER SER E . n E 1 38 GLN 38 38 38 GLN GLN E . n E 1 39 ILE 39 39 39 ILE ILE E . n E 1 40 GLY 40 40 40 GLY GLY E . n E 1 41 HIS 41 41 41 HIS HIS E . n E 1 42 LEU 42 42 42 LEU LEU E . n E 1 43 GLN 43 43 43 GLN GLN E . n E 1 44 ASP 44 44 44 ASP ASP E . n E 1 45 LEU 45 45 45 LEU LEU E . n E 1 46 SER 46 46 46 SER SER E . n E 1 47 ALA 47 47 47 ALA ALA E . n E 1 48 LEU 48 48 48 LEU LEU E . n E 1 49 THR 49 49 49 THR THR E . n E 1 50 VAL 50 50 50 VAL VAL E . n E 1 51 ASP 51 51 51 ASP ASP E . n E 1 52 THR 52 52 52 THR THR E . n E 1 53 LEU 53 53 53 LEU LEU E . n E 1 54 LYS 54 54 54 LYS LYS E . n E 1 55 THR 55 55 55 THR THR E . n E 1 56 LEU 56 56 56 LEU LEU E . n F 1 1 GLY 1 1 ? ? ? F . n F 1 2 ALA 2 2 ? ? ? F . n F 1 3 GLY 3 3 3 GLY GLY F . n F 1 4 SER 4 4 4 SER SER F . n F 1 5 ARG 5 5 5 ARG ARG F . n F 1 6 VAL 6 6 6 VAL VAL F . n F 1 7 THR 7 7 7 THR THR F . n F 1 8 PHE 8 8 8 PHE PHE F . n F 1 9 GLU 9 9 9 GLU GLU F . n F 1 10 ARG 10 10 10 ARG ARG F . n F 1 11 VAL 11 11 11 VAL VAL F . n F 1 12 GLU 12 12 12 GLU GLU F . n F 1 13 GLN 13 13 13 GLN GLN F . n F 1 14 MET 14 14 14 MET MET F . n F 1 15 SER 15 15 15 SER SER F . n F 1 16 ILE 16 16 16 ILE ILE F . n F 1 17 GLN 17 17 17 GLN GLN F . n F 1 18 ILE 18 18 18 ILE ILE F . n F 1 19 LYS 19 19 19 LYS LYS F . n F 1 20 GLU 20 20 20 GLU GLU F . n F 1 21 VAL 21 21 21 VAL VAL F . n F 1 22 GLY 22 22 22 GLY GLY F . n F 1 23 ASP 23 23 23 ASP ASP F . n F 1 24 ARG 24 24 24 ARG ARG F . n F 1 25 VAL 25 25 25 VAL VAL F . n F 1 26 ASN 26 26 26 ASN ASN F . n F 1 27 TYR 27 27 27 TYR TYR F . n F 1 28 ILE 28 28 28 ILE ILE F . n F 1 29 LYS 29 29 29 LYS LYS F . n F 1 30 ARG 30 30 30 ARG ARG F . n F 1 31 SER 31 31 31 SER SER F . n F 1 32 LEU 32 32 32 LEU LEU F . n F 1 33 GLN 33 33 33 GLN GLN F . n F 1 34 SER 34 34 34 SER SER F . n F 1 35 LEU 35 35 35 LEU LEU F . n F 1 36 ASP 36 36 36 ASP ASP F . n F 1 37 SER 37 37 37 SER SER F . n F 1 38 GLN 38 38 38 GLN GLN F . n F 1 39 ILE 39 39 39 ILE ILE F . n F 1 40 GLY 40 40 40 GLY GLY F . n F 1 41 HIS 41 41 41 HIS HIS F . n F 1 42 LEU 42 42 42 LEU LEU F . n F 1 43 GLN 43 43 43 GLN GLN F . n F 1 44 ASP 44 44 44 ASP ASP F . n F 1 45 LEU 45 45 45 LEU LEU F . n F 1 46 SER 46 46 46 SER SER F . n F 1 47 ALA 47 47 47 ALA ALA F . n F 1 48 LEU 48 48 48 LEU LEU F . n F 1 49 THR 49 49 49 THR THR F . n F 1 50 VAL 50 50 50 VAL VAL F . n F 1 51 ASP 51 51 51 ASP ASP F . n F 1 52 THR 52 52 52 THR THR F . n F 1 53 LEU 53 53 53 LEU LEU F . n F 1 54 LYS 54 54 54 LYS LYS F . n F 1 55 THR 55 55 55 THR THR F . n F 1 56 LEU 56 56 56 LEU LEU F . n G 1 1 GLY 1 1 ? ? ? G . n G 1 2 ALA 2 2 ? ? ? G . n G 1 3 GLY 3 3 ? ? ? G . n G 1 4 SER 4 4 4 SER SER G . n G 1 5 ARG 5 5 5 ARG ARG G . n G 1 6 VAL 6 6 6 VAL VAL G . n G 1 7 THR 7 7 7 THR THR G . n G 1 8 PHE 8 8 8 PHE PHE G . n G 1 9 GLU 9 9 9 GLU GLU G . n G 1 10 ARG 10 10 10 ARG ARG G . n G 1 11 VAL 11 11 11 VAL VAL G . n G 1 12 GLU 12 12 12 GLU GLU G . n G 1 13 GLN 13 13 13 GLN GLN G . n G 1 14 MET 14 14 14 MET MET G . n G 1 15 SER 15 15 15 SER SER G . n G 1 16 ILE 16 16 16 ILE ILE G . n G 1 17 GLN 17 17 17 GLN GLN G . n G 1 18 ILE 18 18 18 ILE ILE G . n G 1 19 LYS 19 19 19 LYS LYS G . n G 1 20 GLU 20 20 20 GLU GLU G . n G 1 21 VAL 21 21 21 VAL VAL G . n G 1 22 GLY 22 22 22 GLY GLY G . n G 1 23 ASP 23 23 23 ASP ASP G . n G 1 24 ARG 24 24 24 ARG ARG G . n G 1 25 VAL 25 25 25 VAL VAL G . n G 1 26 ASN 26 26 26 ASN ASN G . n G 1 27 TYR 27 27 27 TYR TYR G . n G 1 28 ILE 28 28 28 ILE ILE G . n G 1 29 LYS 29 29 29 LYS LYS G . n G 1 30 ARG 30 30 30 ARG ARG G . n G 1 31 SER 31 31 31 SER SER G . n G 1 32 LEU 32 32 32 LEU LEU G . n G 1 33 GLN 33 33 33 GLN GLN G . n G 1 34 SER 34 34 34 SER SER G . n G 1 35 LEU 35 35 35 LEU LEU G . n G 1 36 ASP 36 36 36 ASP ASP G . n G 1 37 SER 37 37 37 SER SER G . n G 1 38 GLN 38 38 38 GLN GLN G . n G 1 39 ILE 39 39 39 ILE ILE G . n G 1 40 GLY 40 40 40 GLY GLY G . n G 1 41 HIS 41 41 41 HIS HIS G . n G 1 42 LEU 42 42 42 LEU LEU G . n G 1 43 GLN 43 43 43 GLN GLN G . n G 1 44 ASP 44 44 44 ASP ASP G . n G 1 45 LEU 45 45 45 LEU LEU G . n G 1 46 SER 46 46 46 SER SER G . n G 1 47 ALA 47 47 47 ALA ALA G . n G 1 48 LEU 48 48 48 LEU LEU G . n G 1 49 THR 49 49 49 THR THR G . n G 1 50 VAL 50 50 50 VAL VAL G . n G 1 51 ASP 51 51 51 ASP ASP G . n G 1 52 THR 52 52 52 THR THR G . n G 1 53 LEU 53 53 53 LEU LEU G . n G 1 54 LYS 54 54 54 LYS LYS G . n G 1 55 THR 55 55 55 THR THR G . n G 1 56 LEU 56 56 ? ? ? G . n H 1 1 GLY 1 1 1 GLY GLY H . n H 1 2 ALA 2 2 2 ALA ALA H . n H 1 3 GLY 3 3 3 GLY GLY H . n H 1 4 SER 4 4 4 SER SER H . n H 1 5 ARG 5 5 5 ARG ARG H . n H 1 6 VAL 6 6 6 VAL VAL H . n H 1 7 THR 7 7 7 THR THR H . n H 1 8 PHE 8 8 8 PHE PHE H . n H 1 9 GLU 9 9 9 GLU GLU H . n H 1 10 ARG 10 10 10 ARG ARG H . n H 1 11 VAL 11 11 11 VAL VAL H . n H 1 12 GLU 12 12 12 GLU GLU H . n H 1 13 GLN 13 13 13 GLN GLN H . n H 1 14 MET 14 14 14 MET MET H . n H 1 15 SER 15 15 15 SER SER H . n H 1 16 ILE 16 16 16 ILE ILE H . n H 1 17 GLN 17 17 17 GLN GLN H . n H 1 18 ILE 18 18 18 ILE ILE H . n H 1 19 LYS 19 19 19 LYS LYS H . n H 1 20 GLU 20 20 20 GLU GLU H . n H 1 21 VAL 21 21 21 VAL VAL H . n H 1 22 GLY 22 22 22 GLY GLY H . n H 1 23 ASP 23 23 23 ASP ASP H . n H 1 24 ARG 24 24 24 ARG ARG H . n H 1 25 VAL 25 25 25 VAL VAL H . n H 1 26 ASN 26 26 26 ASN ASN H . n H 1 27 TYR 27 27 27 TYR TYR H . n H 1 28 ILE 28 28 28 ILE ILE H . n H 1 29 LYS 29 29 29 LYS LYS H . n H 1 30 ARG 30 30 30 ARG ARG H . n H 1 31 SER 31 31 31 SER SER H . n H 1 32 LEU 32 32 32 LEU LEU H . n H 1 33 GLN 33 33 33 GLN GLN H . n H 1 34 SER 34 34 34 SER SER H . n H 1 35 LEU 35 35 35 LEU LEU H . n H 1 36 ASP 36 36 36 ASP ASP H . n H 1 37 SER 37 37 37 SER SER H . n H 1 38 GLN 38 38 38 GLN GLN H . n H 1 39 ILE 39 39 39 ILE ILE H . n H 1 40 GLY 40 40 40 GLY GLY H . n H 1 41 HIS 41 41 41 HIS HIS H . n H 1 42 LEU 42 42 42 LEU LEU H . n H 1 43 GLN 43 43 43 GLN GLN H . n H 1 44 ASP 44 44 44 ASP ASP H . n H 1 45 LEU 45 45 45 LEU LEU H . n H 1 46 SER 46 46 46 SER SER H . n H 1 47 ALA 47 47 47 ALA ALA H . n H 1 48 LEU 48 48 48 LEU LEU H . n H 1 49 THR 49 49 49 THR THR H . n H 1 50 VAL 50 50 50 VAL VAL H . n H 1 51 ASP 51 51 51 ASP ASP H . n H 1 52 THR 52 52 52 THR THR H . n H 1 53 LEU 53 53 53 LEU LEU H . n H 1 54 LYS 54 54 54 LYS LYS H . n H 1 55 THR 55 55 55 THR THR H . n H 1 56 LEU 56 56 56 LEU LEU H . 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 I 2 HOH 1 57 3 HOH HOH A . I 2 HOH 2 58 5 HOH HOH A . I 2 HOH 3 59 19 HOH HOH A . I 2 HOH 4 60 21 HOH HOH A . I 2 HOH 5 61 46 HOH HOH A . I 2 HOH 6 62 48 HOH HOH A . I 2 HOH 7 63 52 HOH HOH A . I 2 HOH 8 64 56 HOH HOH A . I 2 HOH 9 65 62 HOH HOH A . I 2 HOH 10 66 69 HOH HOH A . I 2 HOH 11 67 76 HOH HOH A . I 2 HOH 12 68 93 HOH HOH A . I 2 HOH 13 69 98 HOH HOH A . I 2 HOH 14 70 102 HOH HOH A . I 2 HOH 15 71 111 HOH HOH A . I 2 HOH 16 72 117 HOH HOH A . I 2 HOH 17 73 118 HOH HOH A . I 2 HOH 18 74 121 HOH HOH A . I 2 HOH 19 75 135 HOH HOH A . I 2 HOH 20 76 137 HOH HOH A . I 2 HOH 21 77 145 HOH HOH A . I 2 HOH 22 78 150 HOH HOH A . I 2 HOH 23 79 165 HOH HOH A . I 2 HOH 24 80 178 HOH HOH A . I 2 HOH 25 81 180 HOH HOH A . I 2 HOH 26 82 184 HOH HOH A . I 2 HOH 27 83 186 HOH HOH A . I 2 HOH 28 84 187 HOH HOH A . I 2 HOH 29 85 192 HOH HOH A . I 2 HOH 30 86 202 HOH HOH A . I 2 HOH 31 87 205 HOH HOH A . I 2 HOH 32 88 206 HOH HOH A . I 2 HOH 33 89 222 HOH HOH A . I 2 HOH 34 90 223 HOH HOH A . I 2 HOH 35 91 231 HOH HOH A . I 2 HOH 36 92 233 HOH HOH A . I 2 HOH 37 93 234 HOH HOH A . I 2 HOH 38 94 235 HOH HOH A . I 2 HOH 39 95 237 HOH HOH A . I 2 HOH 40 96 255 HOH HOH A . I 2 HOH 41 97 264 HOH HOH A . I 2 HOH 42 98 270 HOH HOH A . I 2 HOH 43 99 282 HOH HOH A . J 2 HOH 1 57 13 HOH HOH B . J 2 HOH 2 58 14 HOH HOH B . J 2 HOH 3 59 18 HOH HOH B . J 2 HOH 4 60 20 HOH HOH B . J 2 HOH 5 61 23 HOH HOH B . J 2 HOH 6 62 30 HOH HOH B . J 2 HOH 7 63 36 HOH HOH B . J 2 HOH 8 64 38 HOH HOH B . J 2 HOH 9 65 40 HOH HOH B . J 2 HOH 10 66 44 HOH HOH B . J 2 HOH 11 67 47 HOH HOH B . J 2 HOH 12 68 51 HOH HOH B . J 2 HOH 13 69 59 HOH HOH B . J 2 HOH 14 70 65 HOH HOH B . J 2 HOH 15 71 82 HOH HOH B . J 2 HOH 16 72 96 HOH HOH B . J 2 HOH 17 73 119 HOH HOH B . J 2 HOH 18 74 123 HOH HOH B . J 2 HOH 19 75 125 HOH HOH B . J 2 HOH 20 76 136 HOH HOH B . J 2 HOH 21 77 144 HOH HOH B . J 2 HOH 22 78 148 HOH HOH B . J 2 HOH 23 79 158 HOH HOH B . J 2 HOH 24 80 162 HOH HOH B . J 2 HOH 25 81 174 HOH HOH B . J 2 HOH 26 82 185 HOH HOH B . J 2 HOH 27 83 210 HOH HOH B . J 2 HOH 28 84 256 HOH HOH B . J 2 HOH 29 85 259 HOH HOH B . J 2 HOH 30 86 271 HOH HOH B . J 2 HOH 31 87 290 HOH HOH B . J 2 HOH 32 88 293 HOH HOH B . J 2 HOH 33 89 295 HOH HOH B . K 2 HOH 1 57 10 HOH HOH C . K 2 HOH 2 58 27 HOH HOH C . K 2 HOH 3 59 29 HOH HOH C . K 2 HOH 4 60 41 HOH HOH C . K 2 HOH 5 61 42 HOH HOH C . K 2 HOH 6 62 43 HOH HOH C . K 2 HOH 7 63 45 HOH HOH C . K 2 HOH 8 64 50 HOH HOH C . K 2 HOH 9 65 54 HOH HOH C . K 2 HOH 10 66 55 HOH HOH C . K 2 HOH 11 67 57 HOH HOH C . K 2 HOH 12 68 61 HOH HOH C . K 2 HOH 13 69 64 HOH HOH C . K 2 HOH 14 70 70 HOH HOH C . K 2 HOH 15 71 81 HOH HOH C . K 2 HOH 16 72 97 HOH HOH C . K 2 HOH 17 73 103 HOH HOH C . K 2 HOH 18 74 108 HOH HOH C . K 2 HOH 19 75 109 HOH HOH C . K 2 HOH 20 76 120 HOH HOH C . K 2 HOH 21 77 128 HOH HOH C . K 2 HOH 22 78 133 HOH HOH C . K 2 HOH 23 79 138 HOH HOH C . K 2 HOH 24 80 146 HOH HOH C . K 2 HOH 25 81 149 HOH HOH C . K 2 HOH 26 82 154 HOH HOH C . K 2 HOH 27 83 155 HOH HOH C . K 2 HOH 28 84 167 HOH HOH C . K 2 HOH 29 85 176 HOH HOH C . K 2 HOH 30 86 177 HOH HOH C . K 2 HOH 31 87 191 HOH HOH C . K 2 HOH 32 88 195 HOH HOH C . K 2 HOH 33 89 196 HOH HOH C . K 2 HOH 34 90 200 HOH HOH C . K 2 HOH 35 91 207 HOH HOH C . K 2 HOH 36 92 217 HOH HOH C . K 2 HOH 37 93 224 HOH HOH C . K 2 HOH 38 94 228 HOH HOH C . K 2 HOH 39 95 252 HOH HOH C . K 2 HOH 40 96 254 HOH HOH C . K 2 HOH 41 97 260 HOH HOH C . K 2 HOH 42 98 262 HOH HOH C . K 2 HOH 43 99 263 HOH HOH C . K 2 HOH 44 100 265 HOH HOH C . K 2 HOH 45 101 266 HOH HOH C . K 2 HOH 46 102 267 HOH HOH C . K 2 HOH 47 103 281 HOH HOH C . L 2 HOH 1 57 9 HOH HOH D . L 2 HOH 2 58 15 HOH HOH D . L 2 HOH 3 59 24 HOH HOH D . L 2 HOH 4 60 25 HOH HOH D . L 2 HOH 5 61 33 HOH HOH D . L 2 HOH 6 62 35 HOH HOH D . L 2 HOH 7 63 39 HOH HOH D . L 2 HOH 8 64 49 HOH HOH D . L 2 HOH 9 65 60 HOH HOH D . L 2 HOH 10 66 68 HOH HOH D . L 2 HOH 11 67 74 HOH HOH D . L 2 HOH 12 68 75 HOH HOH D . L 2 HOH 13 69 79 HOH HOH D . L 2 HOH 14 70 91 HOH HOH D . L 2 HOH 15 71 92 HOH HOH D . L 2 HOH 16 72 94 HOH HOH D . L 2 HOH 17 73 105 HOH HOH D . L 2 HOH 18 74 106 HOH HOH D . L 2 HOH 19 75 112 HOH HOH D . L 2 HOH 20 76 143 HOH HOH D . L 2 HOH 21 77 147 HOH HOH D . L 2 HOH 22 78 156 HOH HOH D . L 2 HOH 23 79 183 HOH HOH D . L 2 HOH 24 80 188 HOH HOH D . L 2 HOH 25 81 225 HOH HOH D . L 2 HOH 26 82 226 HOH HOH D . L 2 HOH 27 83 236 HOH HOH D . L 2 HOH 28 84 240 HOH HOH D . L 2 HOH 29 85 243 HOH HOH D . L 2 HOH 30 86 247 HOH HOH D . L 2 HOH 31 87 257 HOH HOH D . L 2 HOH 32 88 269 HOH HOH D . L 2 HOH 33 89 273 HOH HOH D . L 2 HOH 34 90 274 HOH HOH D . L 2 HOH 35 91 278 HOH HOH D . L 2 HOH 36 92 280 HOH HOH D . L 2 HOH 37 93 294 HOH HOH D . M 2 HOH 1 57 2 HOH HOH E . M 2 HOH 2 58 16 HOH HOH E . M 2 HOH 3 59 34 HOH HOH E . M 2 HOH 4 60 37 HOH HOH E . M 2 HOH 5 61 63 HOH HOH E . M 2 HOH 6 62 71 HOH HOH E . M 2 HOH 7 63 84 HOH HOH E . M 2 HOH 8 64 85 HOH HOH E . M 2 HOH 9 65 101 HOH HOH E . M 2 HOH 10 66 110 HOH HOH E . M 2 HOH 11 67 124 HOH HOH E . M 2 HOH 12 68 131 HOH HOH E . M 2 HOH 13 69 141 HOH HOH E . M 2 HOH 14 70 157 HOH HOH E . M 2 HOH 15 71 159 HOH HOH E . M 2 HOH 16 72 164 HOH HOH E . M 2 HOH 17 73 166 HOH HOH E . M 2 HOH 18 74 175 HOH HOH E . M 2 HOH 19 75 181 HOH HOH E . M 2 HOH 20 76 193 HOH HOH E . M 2 HOH 21 77 194 HOH HOH E . M 2 HOH 22 78 199 HOH HOH E . M 2 HOH 23 79 204 HOH HOH E . M 2 HOH 24 80 209 HOH HOH E . M 2 HOH 25 81 215 HOH HOH E . M 2 HOH 26 82 230 HOH HOH E . M 2 HOH 27 83 241 HOH HOH E . M 2 HOH 28 84 251 HOH HOH E . M 2 HOH 29 85 253 HOH HOH E . M 2 HOH 30 86 272 HOH HOH E . M 2 HOH 31 87 275 HOH HOH E . M 2 HOH 32 88 276 HOH HOH E . M 2 HOH 33 89 287 HOH HOH E . M 2 HOH 34 90 288 HOH HOH E . N 2 HOH 1 57 7 HOH HOH F . N 2 HOH 2 58 12 HOH HOH F . N 2 HOH 3 59 26 HOH HOH F . N 2 HOH 4 60 53 HOH HOH F . N 2 HOH 5 61 58 HOH HOH F . N 2 HOH 6 62 66 HOH HOH F . N 2 HOH 7 63 80 HOH HOH F . N 2 HOH 8 64 86 HOH HOH F . N 2 HOH 9 65 89 HOH HOH F . N 2 HOH 10 66 90 HOH HOH F . N 2 HOH 11 67 95 HOH HOH F . N 2 HOH 12 68 114 HOH HOH F . N 2 HOH 13 69 115 HOH HOH F . N 2 HOH 14 70 116 HOH HOH F . N 2 HOH 15 71 126 HOH HOH F . N 2 HOH 16 72 134 HOH HOH F . N 2 HOH 17 73 142 HOH HOH F . N 2 HOH 18 74 161 HOH HOH F . N 2 HOH 19 75 163 HOH HOH F . N 2 HOH 20 76 179 HOH HOH F . N 2 HOH 21 77 189 HOH HOH F . N 2 HOH 22 78 190 HOH HOH F . N 2 HOH 23 79 214 HOH HOH F . N 2 HOH 24 80 216 HOH HOH F . N 2 HOH 25 81 218 HOH HOH F . N 2 HOH 26 82 220 HOH HOH F . N 2 HOH 27 83 221 HOH HOH F . N 2 HOH 28 84 232 HOH HOH F . N 2 HOH 29 85 238 HOH HOH F . N 2 HOH 30 86 242 HOH HOH F . N 2 HOH 31 88 258 HOH HOH F . N 2 HOH 32 89 277 HOH HOH F . N 2 HOH 33 90 279 HOH HOH F . N 2 HOH 34 91 289 HOH HOH F . N 2 HOH 35 92 291 HOH HOH F . O 2 HOH 1 57 4 HOH HOH G . O 2 HOH 2 58 6 HOH HOH G . O 2 HOH 3 59 11 HOH HOH G . O 2 HOH 4 60 17 HOH HOH G . O 2 HOH 5 61 32 HOH HOH G . O 2 HOH 6 62 67 HOH HOH G . O 2 HOH 7 63 77 HOH HOH G . O 2 HOH 8 64 87 HOH HOH G . O 2 HOH 9 65 99 HOH HOH G . O 2 HOH 10 66 100 HOH HOH G . O 2 HOH 11 67 104 HOH HOH G . O 2 HOH 12 68 130 HOH HOH G . O 2 HOH 13 69 140 HOH HOH G . O 2 HOH 14 70 151 HOH HOH G . O 2 HOH 15 71 168 HOH HOH G . O 2 HOH 16 72 170 HOH HOH G . O 2 HOH 17 73 173 HOH HOH G . O 2 HOH 18 74 182 HOH HOH G . O 2 HOH 19 75 198 HOH HOH G . O 2 HOH 20 76 201 HOH HOH G . O 2 HOH 21 77 203 HOH HOH G . O 2 HOH 22 78 212 HOH HOH G . O 2 HOH 23 79 219 HOH HOH G . O 2 HOH 24 80 227 HOH HOH G . O 2 HOH 25 81 239 HOH HOH G . O 2 HOH 26 82 246 HOH HOH G . O 2 HOH 27 83 250 HOH HOH G . O 2 HOH 28 84 268 HOH HOH G . O 2 HOH 29 85 285 HOH HOH G . O 2 HOH 30 86 296 HOH HOH G . O 2 HOH 31 87 248 HOH HOH G . P 2 HOH 1 57 1 HOH HOH H . P 2 HOH 2 58 8 HOH HOH H . P 2 HOH 3 59 22 HOH HOH H . P 2 HOH 4 60 28 HOH HOH H . P 2 HOH 5 61 31 HOH HOH H . P 2 HOH 6 62 72 HOH HOH H . P 2 HOH 7 63 73 HOH HOH H . P 2 HOH 8 64 78 HOH HOH H . P 2 HOH 9 65 83 HOH HOH H . P 2 HOH 10 66 88 HOH HOH H . P 2 HOH 11 67 107 HOH HOH H . P 2 HOH 12 68 113 HOH HOH H . P 2 HOH 13 69 122 HOH HOH H . P 2 HOH 14 70 127 HOH HOH H . P 2 HOH 15 71 129 HOH HOH H . P 2 HOH 16 72 132 HOH HOH H . P 2 HOH 17 73 139 HOH HOH H . P 2 HOH 18 74 152 HOH HOH H . P 2 HOH 19 75 153 HOH HOH H . P 2 HOH 20 76 160 HOH HOH H . P 2 HOH 21 77 169 HOH HOH H . P 2 HOH 22 78 171 HOH HOH H . P 2 HOH 23 79 172 HOH HOH H . P 2 HOH 24 80 197 HOH HOH H . P 2 HOH 25 81 208 HOH HOH H . P 2 HOH 26 82 211 HOH HOH H . P 2 HOH 27 83 213 HOH HOH H . P 2 HOH 28 84 229 HOH HOH H . P 2 HOH 29 85 244 HOH HOH H . P 2 HOH 30 86 245 HOH HOH H . P 2 HOH 31 87 249 HOH HOH H . P 2 HOH 32 88 261 HOH HOH H . P 2 HOH 33 89 283 HOH HOH H . P 2 HOH 34 90 284 HOH HOH H . P 2 HOH 35 91 286 HOH HOH H . P 2 HOH 36 92 292 HOH HOH H . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA tetrameric 4 2 author_and_software_defined_assembly PISA tetrameric 4 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,D,I,J,K,L 2 1 E,F,G,H,M,N,O,P # 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)' 9310 ? 1 MORE -97 ? 1 'SSA (A^2)' 11250 ? 2 'ABSA (A^2)' 9640 ? 2 MORE -98 ? 2 'SSA (A^2)' 11430 ? # _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_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 2008-09-23 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2017-10-25 # _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' Advisory 2 2 'Structure model' 'Version format compliance' 3 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_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_software.classification' 2 3 'Structure model' '_software.contact_author' 3 3 'Structure model' '_software.contact_author_email' 4 3 'Structure model' '_software.date' 5 3 'Structure model' '_software.language' 6 3 'Structure model' '_software.location' 7 3 'Structure model' '_software.name' 8 3 'Structure model' '_software.type' 9 3 'Structure model' '_software.version' # loop_ _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[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.pdbx_refine_id 1 ? refined -14.7749 11.4282 -27.1146 -0.0755 -0.0490 -0.0639 -0.0311 0.0093 0.0005 6.6776 7.0577 0.7147 -6.5682 2.0928 -1.9730 -0.1796 0.1702 0.0094 -0.1354 0.1234 -0.2015 0.2541 -0.0459 -0.0626 'X-RAY DIFFRACTION' 2 ? refined -22.0555 8.6389 -31.0951 -0.0644 -0.0632 -0.0652 -0.0156 0.0234 -0.0198 5.7254 9.8701 2.9387 -7.1848 3.8941 -5.3273 -0.1396 0.1448 -0.0052 -0.0726 -0.0611 0.2658 0.2694 -0.0998 -0.1042 'X-RAY DIFFRACTION' 3 ? refined -16.4501 6.4325 -36.9444 -0.0467 -0.0454 -0.0129 -0.0181 0.0244 0.0082 2.5602 10.1638 2.1055 -5.0732 2.2162 -4.4917 0.1838 -0.2066 0.0227 0.0944 0.0499 -0.1154 -0.3627 0.1962 0.0907 'X-RAY DIFFRACTION' 4 ? refined -12.8178 13.3429 -34.8810 -0.0526 -0.0551 -0.0518 -0.0211 0.0088 -0.0205 3.7331 9.9860 0.4351 -5.7901 0.9086 -1.5714 0.0617 -0.0298 -0.0319 -0.0016 0.1345 -0.1789 -0.1925 0.0537 0.0257 'X-RAY DIFFRACTION' 5 ? refined -33.0701 29.0120 -15.1429 -0.0484 -0.0201 -0.0559 0.0091 0.0134 0.0021 8.9087 10.0275 0.2344 9.3409 0.7388 0.5736 -0.1203 0.1914 -0.0711 0.2248 0.0257 0.1459 -0.1585 -0.0603 0.0073 'X-RAY DIFFRACTION' 6 ? refined -25.2923 26.0782 -12.8766 -0.0462 -0.0057 -0.0892 0.0117 0.0006 0.0157 7.9058 9.5277 2.4473 8.3042 4.0323 4.7464 -0.1403 0.2529 -0.1126 0.1622 -0.1892 -0.3013 -0.2028 -0.0839 0.0988 'X-RAY DIFFRACTION' 7 ? refined -29.4259 24.2159 -6.0878 -0.0413 0.0037 -0.0416 0.0107 0.0302 -0.0163 3.2052 10.7511 0.9620 5.7053 1.5999 3.0318 0.2126 -0.1870 -0.0256 -0.1217 -0.0286 -0.0184 0.3562 0.1130 -0.0838 'X-RAY DIFFRACTION' 8 ? refined -33.2514 31.1997 -7.3813 -0.0397 -0.0036 -0.0713 0.0280 0.0242 -0.0097 4.0016 10.4649 0.0729 6.2432 0.0957 0.0122 0.0975 -0.0292 -0.0683 -0.0200 0.1619 0.2585 0.3471 -0.0084 -0.0594 'X-RAY DIFFRACTION' # loop_ _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.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.selection_details 1 1 A 5 A 54 ? A 5 A 54 'X-RAY DIFFRACTION' ? 2 2 B 5 B 54 ? B 5 B 54 'X-RAY DIFFRACTION' ? 3 3 C 5 C 54 ? C 5 C 54 'X-RAY DIFFRACTION' ? 4 4 D 5 D 54 ? D 5 D 54 'X-RAY DIFFRACTION' ? 5 5 E 5 E 54 ? E 5 E 54 'X-RAY DIFFRACTION' ? 6 6 F 5 F 54 ? F 5 F 54 'X-RAY DIFFRACTION' ? 7 7 G 5 G 54 ? G 5 G 54 'X-RAY DIFFRACTION' ? 8 8 H 5 H 54 ? H 5 H 54 'X-RAY DIFFRACTION' ? # _pdbx_phasing_MR.entry_id 3E7K _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details 'Phaser MODE: MR_AUTO' _pdbx_phasing_MR.R_factor ? _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 2.500 _pdbx_phasing_MR.d_res_low_rotation 41.360 _pdbx_phasing_MR.d_res_high_translation 2.500 _pdbx_phasing_MR.d_res_low_translation 41.360 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method MR # loop_ _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id _software.pdbx_ordinal DENZO . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data reduction' http://www.hkl-xray.com/ ? ? 1 SCALEPACK . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 2 PHASER . ? program 'Randy J. Read' cimr-phaser@lists.cam.ac.uk phasing http://www-structmed.cimr.cam.ac.uk/phaser/ ? ? 3 REFMAC . ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 4 PDB_EXTRACT 3.006 'June 11, 2008' package PDB help@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 5 HKL-2000 . ? ? ? ? 'data reduction' ? ? ? 6 HKL-2000 . ? ? ? ? 'data scaling' ? ? ? 7 # 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 12 ? CD ? A GLU 12 CD 2 1 Y 1 A GLU 12 ? OE1 ? A GLU 12 OE1 3 1 Y 1 A GLU 12 ? OE2 ? A GLU 12 OE2 4 1 Y 1 A GLU 20 ? CD ? A GLU 20 CD 5 1 Y 1 A GLU 20 ? OE1 ? A GLU 20 OE1 6 1 Y 1 A GLU 20 ? OE2 ? A GLU 20 OE2 7 1 Y 1 B LYS 19 ? CD ? B LYS 19 CD 8 1 Y 1 B LYS 19 ? CE ? B LYS 19 CE 9 1 Y 1 B LYS 19 ? NZ ? B LYS 19 NZ 10 1 Y 1 B GLU 20 ? CG ? B GLU 20 CG 11 1 Y 1 B GLU 20 ? CD ? B GLU 20 CD 12 1 Y 1 B GLU 20 ? OE1 ? B GLU 20 OE1 13 1 Y 1 B GLU 20 ? OE2 ? B GLU 20 OE2 14 1 Y 1 B LYS 29 ? CD ? B LYS 29 CD 15 1 Y 1 B LYS 29 ? CE ? B LYS 29 CE 16 1 Y 1 B LYS 29 ? NZ ? B LYS 29 NZ 17 1 Y 1 B LYS 54 ? CD ? B LYS 54 CD 18 1 Y 1 B LYS 54 ? CE ? B LYS 54 CE 19 1 Y 1 B LYS 54 ? NZ ? B LYS 54 NZ 20 1 Y 1 B THR 55 ? CB ? B THR 55 CB 21 1 Y 1 B THR 55 ? OG1 ? B THR 55 OG1 22 1 Y 1 B THR 55 ? CG2 ? B THR 55 CG2 23 1 Y 1 C LYS 19 ? CE ? C LYS 19 CE 24 1 Y 1 C LYS 19 ? NZ ? C LYS 19 NZ 25 1 Y 1 D LYS 19 ? CE ? D LYS 19 CE 26 1 Y 1 D LYS 19 ? NZ ? D LYS 19 NZ 27 1 Y 1 E GLU 12 ? CG ? E GLU 12 CG 28 1 Y 1 E GLU 12 ? CD ? E GLU 12 CD 29 1 Y 1 E GLU 12 ? OE1 ? E GLU 12 OE1 30 1 Y 1 E GLU 12 ? OE2 ? E GLU 12 OE2 31 1 Y 1 E LYS 19 ? CE ? E LYS 19 CE 32 1 Y 1 E LYS 19 ? NZ ? E LYS 19 NZ 33 1 Y 1 E LYS 54 ? CE ? E LYS 54 CE 34 1 Y 1 E LYS 54 ? NZ ? E LYS 54 NZ 35 1 Y 1 F GLU 9 ? CD ? F GLU 9 CD 36 1 Y 1 F GLU 9 ? OE1 ? F GLU 9 OE1 37 1 Y 1 F GLU 9 ? OE2 ? F GLU 9 OE2 38 1 Y 1 G LYS 19 ? CD ? G LYS 19 CD 39 1 Y 1 G LYS 19 ? CE ? G LYS 19 CE 40 1 Y 1 G LYS 19 ? NZ ? G LYS 19 NZ # 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 GLY 1 ? A GLY 1 2 1 Y 1 A LEU 56 ? A LEU 56 3 1 Y 1 B LEU 56 ? B LEU 56 4 1 Y 1 C GLY 1 ? C GLY 1 5 1 Y 1 C ALA 2 ? C ALA 2 6 1 Y 1 C LEU 56 ? C LEU 56 7 1 Y 1 D GLY 1 ? D GLY 1 8 1 Y 1 D ALA 2 ? D ALA 2 9 1 Y 1 D GLY 3 ? D GLY 3 10 1 Y 1 E GLY 1 ? E GLY 1 11 1 Y 1 F GLY 1 ? F GLY 1 12 1 Y 1 F ALA 2 ? F ALA 2 13 1 Y 1 G GLY 1 ? G GLY 1 14 1 Y 1 G ALA 2 ? G ALA 2 15 1 Y 1 G GLY 3 ? G GLY 3 16 1 Y 1 G LEU 56 ? G LEU 56 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name water _pdbx_entity_nonpoly.comp_id HOH #