data_3TE3 # _entry.id 3TE3 # _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 3TE3 RCSB RCSB067368 WWPDB D_1000067368 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3TE3 _pdbx_database_status.recvd_initial_deposition_date 2011-08-11 _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 _audit_author.identifier_ORCID 'Yernool, D.A.' 1 ? 'Molland, K.M.' 2 ? # _citation.id primary _citation.title 'Crystal structure and characterization of coiled-coil domain of the transient receptor potential channel PKD2L1.' _citation.journal_abbrev Biochim.Biophys.Acta _citation.journal_volume 1824 _citation.page_first 413 _citation.page_last 421 _citation.year 2011 _citation.journal_id_ASTM BBACAQ _citation.country NE _citation.journal_id_ISSN 0006-3002 _citation.journal_id_CSD 0113 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 22193359 _citation.pdbx_database_id_DOI 10.1016/j.bbapap.2011.12.002 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Molland, K.L.' 1 primary 'Paul, L.N.' 2 primary 'Yernool, D.A.' 3 # _cell.entry_id 3TE3 _cell.length_a 74.634 _cell.length_b 74.634 _cell.length_c 185.791 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 72 _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 3TE3 _symmetry.space_group_name_H-M 'P 65 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 179 _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 'Polycystic kidney disease 2-like 1 protein' 4331.021 6 ? ? 'UNP residues 699-737' ? 2 water nat water 18.015 8 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Polycystin-2 homolog, Polycystin-2L1, Polycystin-L, Polycystin-L1' # _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 GGWVSGEEFYMLTRRVLQLETVLEGVVSQIDAVGSKLKM _entity_poly.pdbx_seq_one_letter_code_can GGWVSGEEFYMLTRRVLQLETVLEGVVSQIDAVGSKLKM _entity_poly.pdbx_strand_id A,B,C,D,E,F _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 GLY n 1 3 TRP n 1 4 VAL n 1 5 SER n 1 6 GLY n 1 7 GLU n 1 8 GLU n 1 9 PHE n 1 10 TYR n 1 11 MET n 1 12 LEU n 1 13 THR n 1 14 ARG n 1 15 ARG n 1 16 VAL n 1 17 LEU n 1 18 GLN n 1 19 LEU n 1 20 GLU n 1 21 THR n 1 22 VAL n 1 23 LEU n 1 24 GLU n 1 25 GLY n 1 26 VAL n 1 27 VAL n 1 28 SER n 1 29 GLN n 1 30 ILE n 1 31 ASP n 1 32 ALA n 1 33 VAL n 1 34 GLY n 1 35 SER n 1 36 LYS n 1 37 LEU n 1 38 LYS n 1 39 MET 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 human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'PKD2L1, PKD2L, PKDL' _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 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _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 511693 _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 BL21pLysS _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 plasmind _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pEV-L8 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PK2L1_HUMAN _struct_ref.pdbx_db_accession Q9P0L9 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code GGWVSGEEFYMLTRRVLQLETVLEGVVSQIDAVGSKLKM _struct_ref.pdbx_align_begin 699 _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 3TE3 A 1 ? 39 ? Q9P0L9 699 ? 737 ? 699 737 2 1 3TE3 B 1 ? 39 ? Q9P0L9 699 ? 737 ? 699 737 3 1 3TE3 C 1 ? 39 ? Q9P0L9 699 ? 737 ? 699 737 4 1 3TE3 D 1 ? 39 ? Q9P0L9 699 ? 737 ? 699 737 5 1 3TE3 E 1 ? 39 ? Q9P0L9 699 ? 737 ? 699 737 6 1 3TE3 F 1 ? 39 ? Q9P0L9 699 ? 737 ? 699 737 # 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 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 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 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 3TE3 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.87 _exptl_crystal.density_percent_sol 57.20 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 300 mm CCD' _diffrn_detector.pdbx_collection_date 2010-08-14 _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 ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97857 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 21-ID-G' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 21-ID-G _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.97857 # _reflns.entry_id 3TE3 _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30 _reflns.d_resolution_high 2.69 _reflns.number_obs 8840 _reflns.number_all 8840 _reflns.percent_possible_obs ? _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate 57.17 _reflns.pdbx_redundancy 11.3 _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.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.694 _reflns_shell.d_res_low ? _reflns_shell.percent_possible_all 100 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _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 ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3TE3 _refine.ls_number_reflns_obs 8840 _refine.ls_number_reflns_all 8840 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.00 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 29.091 _refine.ls_d_res_high 2.694 _refine.ls_percent_reflns_obs 97.42 _refine.ls_R_factor_obs 0.2550 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.2534 _refine.ls_R_factor_R_free 0.2898 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.72 _refine.ls_number_reflns_R_free 417 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 57.17 _refine.aniso_B[1][1] 5.8546 _refine.aniso_B[2][2] 5.8546 _refine.aniso_B[3][3] -11.7092 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] -0.0000 _refine.aniso_B[2][3] -0.0000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.354 _refine.solvent_model_param_bsol 66.886 _refine.pdbx_solvent_vdw_probe_radii 1.00 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.72 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.42 _refine.pdbx_overall_phase_error 25.87 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_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.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _refine.pdbx_TLS_residual_ADP_flag ? _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 1557 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 8 _refine_hist.number_atoms_total 1565 _refine_hist.d_res_high 2.694 _refine_hist.d_res_low 29.091 # 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_restraint_function _refine_ls_restr.pdbx_refine_id f_bond_d 0.022 ? ? 1711 ? 'X-RAY DIFFRACTION' f_angle_d 1.121 ? ? 2115 ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 18.113 ? ? 539 ? 'X-RAY DIFFRACTION' f_chiral_restr 0.067 ? ? 261 ? 'X-RAY DIFFRACTION' f_plane_restr 0.004 ? ? 268 ? 'X-RAY DIFFRACTION' # loop_ _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.pdbx_refine_id . 2.694 3.0833 2605 0.2626 94.00 0.3046 . . 152 . . . . 'X-RAY DIFFRACTION' . 3.0833 3.8831 2799 0.2225 98.00 0.3057 . . 122 . . . . 'X-RAY DIFFRACTION' . 3.8831 29.0928 3019 0.2655 100.00 0.2781 . . 143 . . . . 'X-RAY DIFFRACTION' # _struct.entry_id 3TE3 _struct.title 'Coiled-coil oligomerization domain of the polycystin transient receptor potential channel PKD2L1' _struct.pdbx_descriptor 'Polycystic kidney disease 2-like 1 protein' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag N _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3TE3 _struct_keywords.pdbx_keywords 'METAL TRANSPORT' _struct_keywords.text 'trimeric coiled-coil, oligomerization domain, C-terminal cytoplasmic regulatory domain, METAL TRANSPORT' # 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 2 ? H N N 2 ? I N N 2 ? J N N 2 ? # 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 SER A 5 ? GLY A 34 ? SER A 703 GLY A 732 1 ? 30 HELX_P HELX_P2 2 GLY B 6 ? LYS B 36 ? GLY B 704 LYS B 734 1 ? 31 HELX_P HELX_P3 3 SER C 5 ? SER C 35 ? SER C 703 SER C 733 1 ? 31 HELX_P HELX_P4 4 SER D 5 ? GLY D 34 ? SER D 703 GLY D 732 1 ? 30 HELX_P HELX_P5 5 SER E 5 ? ASP E 31 ? SER E 703 ASP E 729 1 ? 27 HELX_P HELX_P6 6 SER F 5 ? LEU F 37 ? SER F 703 LEU F 735 1 ? 33 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _database_PDB_matrix.entry_id 3TE3 _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 3TE3 _atom_sites.fract_transf_matrix[1][1] 0.013399 _atom_sites.fract_transf_matrix[1][2] 0.007736 _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] 0.015472 _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] 0.005382 _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 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 1 699 ? ? ? A . n A 1 2 GLY 2 700 700 GLY GLY A . n A 1 3 TRP 3 701 701 TRP TRP A . n A 1 4 VAL 4 702 702 VAL VAL A . n A 1 5 SER 5 703 703 SER SER A . n A 1 6 GLY 6 704 704 GLY GLY A . n A 1 7 GLU 7 705 705 GLU GLU A . n A 1 8 GLU 8 706 706 GLU GLU A . n A 1 9 PHE 9 707 707 PHE PHE A . n A 1 10 TYR 10 708 708 TYR TYR A . n A 1 11 MET 11 709 709 MET MET A . n A 1 12 LEU 12 710 710 LEU LEU A . n A 1 13 THR 13 711 711 THR THR A . n A 1 14 ARG 14 712 712 ARG ARG A . n A 1 15 ARG 15 713 713 ARG ARG A . n A 1 16 VAL 16 714 714 VAL VAL A . n A 1 17 LEU 17 715 715 LEU LEU A . n A 1 18 GLN 18 716 716 GLN GLN A . n A 1 19 LEU 19 717 717 LEU LEU A . n A 1 20 GLU 20 718 718 GLU GLU A . n A 1 21 THR 21 719 719 THR THR A . n A 1 22 VAL 22 720 720 VAL VAL A . n A 1 23 LEU 23 721 721 LEU LEU A . n A 1 24 GLU 24 722 722 GLU GLU A . n A 1 25 GLY 25 723 723 GLY GLY A . n A 1 26 VAL 26 724 724 VAL VAL A . n A 1 27 VAL 27 725 725 VAL VAL A . n A 1 28 SER 28 726 726 SER SER A . n A 1 29 GLN 29 727 727 GLN GLN A . n A 1 30 ILE 30 728 728 ILE ILE A . n A 1 31 ASP 31 729 729 ASP ASP A . n A 1 32 ALA 32 730 730 ALA ALA A . n A 1 33 VAL 33 731 731 VAL VAL A . n A 1 34 GLY 34 732 732 GLY GLY A . n A 1 35 SER 35 733 733 SER SER A . n A 1 36 LYS 36 734 ? ? ? A . n A 1 37 LEU 37 735 ? ? ? A . n A 1 38 LYS 38 736 ? ? ? A . n A 1 39 MET 39 737 ? ? ? A . n B 1 1 GLY 1 699 ? ? ? B . n B 1 2 GLY 2 700 ? ? ? B . n B 1 3 TRP 3 701 701 TRP TRP B . n B 1 4 VAL 4 702 702 VAL VAL B . n B 1 5 SER 5 703 703 SER SER B . n B 1 6 GLY 6 704 704 GLY GLY B . n B 1 7 GLU 7 705 705 GLU GLU B . n B 1 8 GLU 8 706 706 GLU GLU B . n B 1 9 PHE 9 707 707 PHE PHE B . n B 1 10 TYR 10 708 708 TYR TYR B . n B 1 11 MET 11 709 709 MET MET B . n B 1 12 LEU 12 710 710 LEU LEU B . n B 1 13 THR 13 711 711 THR THR B . n B 1 14 ARG 14 712 712 ARG ARG B . n B 1 15 ARG 15 713 713 ARG ARG B . n B 1 16 VAL 16 714 714 VAL VAL B . n B 1 17 LEU 17 715 715 LEU LEU B . n B 1 18 GLN 18 716 716 GLN GLN B . n B 1 19 LEU 19 717 717 LEU LEU B . n B 1 20 GLU 20 718 718 GLU GLU B . n B 1 21 THR 21 719 719 THR THR B . n B 1 22 VAL 22 720 720 VAL VAL B . n B 1 23 LEU 23 721 721 LEU LEU B . n B 1 24 GLU 24 722 722 GLU GLU B . n B 1 25 GLY 25 723 723 GLY GLY B . n B 1 26 VAL 26 724 724 VAL VAL B . n B 1 27 VAL 27 725 725 VAL VAL B . n B 1 28 SER 28 726 726 SER SER B . n B 1 29 GLN 29 727 727 GLN GLN B . n B 1 30 ILE 30 728 728 ILE ILE B . n B 1 31 ASP 31 729 729 ASP ASP B . n B 1 32 ALA 32 730 730 ALA ALA B . n B 1 33 VAL 33 731 731 VAL VAL B . n B 1 34 GLY 34 732 732 GLY GLY B . n B 1 35 SER 35 733 733 SER SER B . n B 1 36 LYS 36 734 734 LYS LYS B . n B 1 37 LEU 37 735 735 LEU LEU B . n B 1 38 LYS 38 736 ? ? ? B . n B 1 39 MET 39 737 ? ? ? B . n C 1 1 GLY 1 699 ? ? ? C . n C 1 2 GLY 2 700 ? ? ? C . n C 1 3 TRP 3 701 701 TRP TRP C . n C 1 4 VAL 4 702 702 VAL VAL C . n C 1 5 SER 5 703 703 SER SER C . n C 1 6 GLY 6 704 704 GLY GLY C . n C 1 7 GLU 7 705 705 GLU GLU C . n C 1 8 GLU 8 706 706 GLU GLU C . n C 1 9 PHE 9 707 707 PHE PHE C . n C 1 10 TYR 10 708 708 TYR TYR C . n C 1 11 MET 11 709 709 MET MET C . n C 1 12 LEU 12 710 710 LEU LEU C . n C 1 13 THR 13 711 711 THR THR C . n C 1 14 ARG 14 712 712 ARG ARG C . n C 1 15 ARG 15 713 713 ARG ARG C . n C 1 16 VAL 16 714 714 VAL VAL C . n C 1 17 LEU 17 715 715 LEU LEU C . n C 1 18 GLN 18 716 716 GLN GLN C . n C 1 19 LEU 19 717 717 LEU LEU C . n C 1 20 GLU 20 718 718 GLU GLU C . n C 1 21 THR 21 719 719 THR THR C . n C 1 22 VAL 22 720 720 VAL VAL C . n C 1 23 LEU 23 721 721 LEU LEU C . n C 1 24 GLU 24 722 722 GLU GLU C . n C 1 25 GLY 25 723 723 GLY GLY C . n C 1 26 VAL 26 724 724 VAL VAL C . n C 1 27 VAL 27 725 725 VAL VAL C . n C 1 28 SER 28 726 726 SER SER C . n C 1 29 GLN 29 727 727 GLN GLN C . n C 1 30 ILE 30 728 728 ILE ILE C . n C 1 31 ASP 31 729 729 ASP ASP C . n C 1 32 ALA 32 730 730 ALA ALA C . n C 1 33 VAL 33 731 731 VAL VAL C . n C 1 34 GLY 34 732 732 GLY GLY C . n C 1 35 SER 35 733 733 SER SER C . n C 1 36 LYS 36 734 734 LYS LYS C . n C 1 37 LEU 37 735 735 LEU LEU C . n C 1 38 LYS 38 736 736 LYS LYS C . n C 1 39 MET 39 737 737 MET MET C . n D 1 1 GLY 1 699 ? ? ? D . n D 1 2 GLY 2 700 700 GLY GLY D . n D 1 3 TRP 3 701 701 TRP TRP D . n D 1 4 VAL 4 702 702 VAL VAL D . n D 1 5 SER 5 703 703 SER SER D . n D 1 6 GLY 6 704 704 GLY GLY D . n D 1 7 GLU 7 705 705 GLU GLU D . n D 1 8 GLU 8 706 706 GLU GLU D . n D 1 9 PHE 9 707 707 PHE PHE D . n D 1 10 TYR 10 708 708 TYR TYR D . n D 1 11 MET 11 709 709 MET MET D . n D 1 12 LEU 12 710 710 LEU LEU D . n D 1 13 THR 13 711 711 THR THR D . n D 1 14 ARG 14 712 712 ARG ARG D . n D 1 15 ARG 15 713 713 ARG ARG D . n D 1 16 VAL 16 714 714 VAL VAL D . n D 1 17 LEU 17 715 715 LEU LEU D . n D 1 18 GLN 18 716 716 GLN GLN D . n D 1 19 LEU 19 717 717 LEU LEU D . n D 1 20 GLU 20 718 718 GLU GLU D . n D 1 21 THR 21 719 719 THR THR D . n D 1 22 VAL 22 720 720 VAL VAL D . n D 1 23 LEU 23 721 721 LEU LEU D . n D 1 24 GLU 24 722 722 GLU GLU D . n D 1 25 GLY 25 723 723 GLY GLY D . n D 1 26 VAL 26 724 724 VAL VAL D . n D 1 27 VAL 27 725 725 VAL VAL D . n D 1 28 SER 28 726 726 SER SER D . n D 1 29 GLN 29 727 727 GLN GLN D . n D 1 30 ILE 30 728 728 ILE ILE D . n D 1 31 ASP 31 729 729 ASP ASP D . n D 1 32 ALA 32 730 730 ALA ALA D . n D 1 33 VAL 33 731 731 VAL VAL D . n D 1 34 GLY 34 732 732 GLY GLY D . n D 1 35 SER 35 733 733 SER SER D . n D 1 36 LYS 36 734 ? ? ? D . n D 1 37 LEU 37 735 ? ? ? D . n D 1 38 LYS 38 736 ? ? ? D . n D 1 39 MET 39 737 ? ? ? D . n E 1 1 GLY 1 699 699 GLY GLY E . n E 1 2 GLY 2 700 700 GLY GLY E . n E 1 3 TRP 3 701 701 TRP TRP E . n E 1 4 VAL 4 702 702 VAL VAL E . n E 1 5 SER 5 703 703 SER SER E . n E 1 6 GLY 6 704 704 GLY GLY E . n E 1 7 GLU 7 705 705 GLU GLU E . n E 1 8 GLU 8 706 706 GLU GLU E . n E 1 9 PHE 9 707 707 PHE PHE E . n E 1 10 TYR 10 708 708 TYR TYR E . n E 1 11 MET 11 709 709 MET MET E . n E 1 12 LEU 12 710 710 LEU LEU E . n E 1 13 THR 13 711 711 THR THR E . n E 1 14 ARG 14 712 712 ARG ARG E . n E 1 15 ARG 15 713 713 ARG ARG E . n E 1 16 VAL 16 714 714 VAL VAL E . n E 1 17 LEU 17 715 715 LEU LEU E . n E 1 18 GLN 18 716 716 GLN GLN E . n E 1 19 LEU 19 717 717 LEU LEU E . n E 1 20 GLU 20 718 718 GLU GLU E . n E 1 21 THR 21 719 719 THR THR E . n E 1 22 VAL 22 720 720 VAL VAL E . n E 1 23 LEU 23 721 721 LEU LEU E . n E 1 24 GLU 24 722 722 GLU GLU E . n E 1 25 GLY 25 723 723 GLY GLY E . n E 1 26 VAL 26 724 724 VAL VAL E . n E 1 27 VAL 27 725 725 VAL VAL E . n E 1 28 SER 28 726 726 SER SER E . n E 1 29 GLN 29 727 727 GLN GLN E . n E 1 30 ILE 30 728 728 ILE ILE E . n E 1 31 ASP 31 729 729 ASP ASP E . n E 1 32 ALA 32 730 730 ALA ALA E . n E 1 33 VAL 33 731 731 VAL VAL E . n E 1 34 GLY 34 732 ? ? ? E . n E 1 35 SER 35 733 ? ? ? E . n E 1 36 LYS 36 734 ? ? ? E . n E 1 37 LEU 37 735 ? ? ? E . n E 1 38 LYS 38 736 ? ? ? E . n E 1 39 MET 39 737 ? ? ? E . n F 1 1 GLY 1 699 699 GLY GLY F . n F 1 2 GLY 2 700 700 GLY GLY F . n F 1 3 TRP 3 701 701 TRP TRP F . n F 1 4 VAL 4 702 702 VAL VAL F . n F 1 5 SER 5 703 703 SER SER F . n F 1 6 GLY 6 704 704 GLY GLY F . n F 1 7 GLU 7 705 705 GLU GLU F . n F 1 8 GLU 8 706 706 GLU GLU F . n F 1 9 PHE 9 707 707 PHE PHE F . n F 1 10 TYR 10 708 708 TYR TYR F . n F 1 11 MET 11 709 709 MET MET F . n F 1 12 LEU 12 710 710 LEU LEU F . n F 1 13 THR 13 711 711 THR THR F . n F 1 14 ARG 14 712 712 ARG ARG F . n F 1 15 ARG 15 713 713 ARG ARG F . n F 1 16 VAL 16 714 714 VAL VAL F . n F 1 17 LEU 17 715 715 LEU LEU F . n F 1 18 GLN 18 716 716 GLN GLN F . n F 1 19 LEU 19 717 717 LEU LEU F . n F 1 20 GLU 20 718 718 GLU GLU F . n F 1 21 THR 21 719 719 THR THR F . n F 1 22 VAL 22 720 720 VAL VAL F . n F 1 23 LEU 23 721 721 LEU LEU F . n F 1 24 GLU 24 722 722 GLU GLU F . n F 1 25 GLY 25 723 723 GLY GLY F . n F 1 26 VAL 26 724 724 VAL VAL F . n F 1 27 VAL 27 725 725 VAL VAL F . n F 1 28 SER 28 726 726 SER SER F . n F 1 29 GLN 29 727 727 GLN GLN F . n F 1 30 ILE 30 728 728 ILE ILE F . n F 1 31 ASP 31 729 729 ASP ASP F . n F 1 32 ALA 32 730 730 ALA ALA F . n F 1 33 VAL 33 731 731 VAL VAL F . n F 1 34 GLY 34 732 732 GLY GLY F . n F 1 35 SER 35 733 733 SER SER F . n F 1 36 LYS 36 734 734 LYS ALA F . n F 1 37 LEU 37 735 735 LEU LEU F . n F 1 38 LYS 38 736 736 LYS LYS F . n F 1 39 MET 39 737 ? ? ? F . 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 G 2 HOH 1 7 7 HOH HOH A . H 2 HOH 1 1 1 HOH HOH B . H 2 HOH 2 2 2 HOH HOH B . H 2 HOH 3 3 3 HOH HOH B . I 2 HOH 1 5 5 HOH HOH D . I 2 HOH 2 8 8 HOH HOH D . J 2 HOH 1 4 4 HOH HOH F . J 2 HOH 2 6 6 HOH HOH F . # 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 trimeric 3 2 author_and_software_defined_assembly PISA trimeric 3 # 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,G,H 2 1 D,E,F,I,J # 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)' 3490 ? 1 MORE -42 ? 1 'SSA (A^2)' 6650 ? 2 'ABSA (A^2)' 3940 ? 2 MORE -42 ? 2 'SSA (A^2)' 6510 ? # _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 2012-01-18 2 'Structure model' 1 1 2012-02-08 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' 3 3 'Structure model' 'Structure summary' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 3 'Structure model' audit_author 2 3 'Structure model' 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' '_audit_author.name' 2 3 'Structure model' '_software.name' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal MAR345 'data collection' 'mosic 300' ? 1 PHASER phasing . ? 2 PHENIX refinement '(phenix.refine: 1.7_650)' ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 3TE3 _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;AUTHOR STATES THAT THE REGION CRYSTALLIZED IS ONLY PART OF ORIGINAL PROTEIN TARGET DUE TO IN-DROP PROTEOLYSIS. THEY HAVE ATTEMPTED TO CRYSTALLIZE THE ENTIRE 137 AA PROTEIN, HOWEVER, MASS SPECTROSCOPIC ANALYSIS OF THE CRYSTALS REVEALED THAT THERE HAD BEEN SOME PROTEOLYSIS DURING THE CRYSTALLIZATION PROCESS, AND THE CRYSTAL ONLY HAD A MASS OF 4338 DA. THIS MASS CORRESPONDS TO THE COILED-COIL DOMAIN OF THE FULL LENGTH PROTEIN. SERRES RECORD IN THE PDB FILE REPRESETS UNP RESIDUES 699-737. ; _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 CB _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 SER _pdbx_validate_close_contact.auth_seq_id_1 733 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 HOH _pdbx_validate_close_contact.auth_seq_id_2 7 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.14 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 VAL A 702 ? ? -109.17 -66.35 2 1 SER A 703 ? ? 58.50 74.79 3 1 SER B 703 ? ? -134.11 -74.17 # 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 TRP 701 ? CG ? A TRP 3 CG 2 1 Y 1 A TRP 701 ? CD1 ? A TRP 3 CD1 3 1 Y 1 A TRP 701 ? CD2 ? A TRP 3 CD2 4 1 Y 1 A TRP 701 ? NE1 ? A TRP 3 NE1 5 1 Y 1 A TRP 701 ? CE2 ? A TRP 3 CE2 6 1 Y 1 A TRP 701 ? CE3 ? A TRP 3 CE3 7 1 Y 1 A TRP 701 ? CZ2 ? A TRP 3 CZ2 8 1 Y 1 A TRP 701 ? CZ3 ? A TRP 3 CZ3 9 1 Y 1 A TRP 701 ? CH2 ? A TRP 3 CH2 10 1 Y 1 A VAL 702 ? CG1 ? A VAL 4 CG1 11 1 Y 1 A VAL 702 ? CG2 ? A VAL 4 CG2 12 1 Y 1 A SER 703 ? OG ? A SER 5 OG 13 1 Y 1 A GLU 706 ? CG ? A GLU 8 CG 14 1 Y 1 A GLU 706 ? CD ? A GLU 8 CD 15 1 Y 1 A GLU 706 ? OE1 ? A GLU 8 OE1 16 1 Y 1 A GLU 706 ? OE2 ? A GLU 8 OE2 17 1 Y 1 A ASP 729 ? CG ? A ASP 31 CG 18 1 Y 1 A ASP 729 ? OD1 ? A ASP 31 OD1 19 1 Y 1 A ASP 729 ? OD2 ? A ASP 31 OD2 20 1 Y 1 B TRP 701 ? CG ? B TRP 3 CG 21 1 Y 1 B TRP 701 ? CD1 ? B TRP 3 CD1 22 1 Y 1 B TRP 701 ? CD2 ? B TRP 3 CD2 23 1 Y 1 B TRP 701 ? NE1 ? B TRP 3 NE1 24 1 Y 1 B TRP 701 ? CE2 ? B TRP 3 CE2 25 1 Y 1 B TRP 701 ? CE3 ? B TRP 3 CE3 26 1 Y 1 B TRP 701 ? CZ2 ? B TRP 3 CZ2 27 1 Y 1 B TRP 701 ? CZ3 ? B TRP 3 CZ3 28 1 Y 1 B TRP 701 ? CH2 ? B TRP 3 CH2 29 1 Y 1 B VAL 702 ? CG1 ? B VAL 4 CG1 30 1 Y 1 B VAL 702 ? CG2 ? B VAL 4 CG2 31 1 Y 1 B SER 703 ? OG ? B SER 5 OG 32 1 Y 1 B GLU 705 ? CG ? B GLU 7 CG 33 1 Y 1 B GLU 705 ? CD ? B GLU 7 CD 34 1 Y 1 B GLU 705 ? OE1 ? B GLU 7 OE1 35 1 Y 1 B GLU 705 ? OE2 ? B GLU 7 OE2 36 1 Y 1 B MET 709 ? CG ? B MET 11 CG 37 1 Y 1 B MET 709 ? SD ? B MET 11 SD 38 1 Y 1 B MET 709 ? CE ? B MET 11 CE 39 1 Y 1 B LYS 734 ? CG ? B LYS 36 CG 40 1 Y 1 B LYS 734 ? CD ? B LYS 36 CD 41 1 Y 1 B LYS 734 ? CE ? B LYS 36 CE 42 1 Y 1 B LYS 734 ? NZ ? B LYS 36 NZ 43 1 Y 1 B LEU 735 ? CG ? B LEU 37 CG 44 1 Y 1 B LEU 735 ? CD1 ? B LEU 37 CD1 45 1 Y 1 B LEU 735 ? CD2 ? B LEU 37 CD2 46 1 Y 1 C TRP 701 ? CG ? C TRP 3 CG 47 1 Y 1 C TRP 701 ? CD1 ? C TRP 3 CD1 48 1 Y 1 C TRP 701 ? CD2 ? C TRP 3 CD2 49 1 Y 1 C TRP 701 ? NE1 ? C TRP 3 NE1 50 1 Y 1 C TRP 701 ? CE2 ? C TRP 3 CE2 51 1 Y 1 C TRP 701 ? CE3 ? C TRP 3 CE3 52 1 Y 1 C TRP 701 ? CZ2 ? C TRP 3 CZ2 53 1 Y 1 C TRP 701 ? CZ3 ? C TRP 3 CZ3 54 1 Y 1 C TRP 701 ? CH2 ? C TRP 3 CH2 55 1 Y 1 C SER 703 ? OG ? C SER 5 OG 56 1 Y 1 C LYS 734 ? CG ? C LYS 36 CG 57 1 Y 1 C LYS 734 ? CD ? C LYS 36 CD 58 1 Y 1 C LYS 734 ? CE ? C LYS 36 CE 59 1 Y 1 C LYS 734 ? NZ ? C LYS 36 NZ 60 1 Y 1 C LEU 735 ? CG ? C LEU 37 CG 61 1 Y 1 C LEU 735 ? CD1 ? C LEU 37 CD1 62 1 Y 1 C LEU 735 ? CD2 ? C LEU 37 CD2 63 1 Y 1 C MET 737 ? CG ? C MET 39 CG 64 1 Y 1 C MET 737 ? SD ? C MET 39 SD 65 1 Y 1 C MET 737 ? CE ? C MET 39 CE 66 1 Y 1 D VAL 702 ? CG1 ? D VAL 4 CG1 67 1 Y 1 D VAL 702 ? CG2 ? D VAL 4 CG2 68 1 Y 1 E TYR 708 ? CG ? E TYR 10 CG 69 1 Y 1 E TYR 708 ? CD1 ? E TYR 10 CD1 70 1 Y 1 E TYR 708 ? CD2 ? E TYR 10 CD2 71 1 Y 1 E TYR 708 ? CE1 ? E TYR 10 CE1 72 1 Y 1 E TYR 708 ? CE2 ? E TYR 10 CE2 73 1 Y 1 E TYR 708 ? CZ ? E TYR 10 CZ 74 1 Y 1 E TYR 708 ? OH ? E TYR 10 OH 75 1 Y 1 E GLN 727 ? CG ? E GLN 29 CG 76 1 Y 1 E GLN 727 ? CD ? E GLN 29 CD 77 1 Y 1 E GLN 727 ? OE1 ? E GLN 29 OE1 78 1 Y 1 E GLN 727 ? NE2 ? E GLN 29 NE2 79 1 Y 1 F SER 703 ? OG ? F SER 5 OG 80 1 Y 1 F GLU 705 ? CG ? F GLU 7 CG 81 1 Y 1 F GLU 705 ? CD ? F GLU 7 CD 82 1 Y 1 F GLU 705 ? OE1 ? F GLU 7 OE1 83 1 Y 1 F GLU 705 ? OE2 ? F GLU 7 OE2 84 1 Y 1 F LYS 734 ? CG ? F LYS 36 CG 85 1 Y 1 F LYS 734 ? CD ? F LYS 36 CD 86 1 Y 1 F LYS 734 ? CE ? F LYS 36 CE 87 1 Y 1 F LYS 734 ? NZ ? F LYS 36 NZ 88 1 Y 1 F LEU 735 ? CG ? F LEU 37 CG 89 1 Y 1 F LEU 735 ? CD1 ? F LEU 37 CD1 90 1 Y 1 F LEU 735 ? CD2 ? F LEU 37 CD2 91 1 Y 1 F LYS 736 ? CG ? F LYS 38 CG 92 1 Y 1 F LYS 736 ? CD ? F LYS 38 CD 93 1 Y 1 F LYS 736 ? CE ? F LYS 38 CE 94 1 Y 1 F LYS 736 ? NZ ? F LYS 38 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 699 ? A GLY 1 2 1 Y 1 A LYS 734 ? A LYS 36 3 1 Y 1 A LEU 735 ? A LEU 37 4 1 Y 1 A LYS 736 ? A LYS 38 5 1 Y 1 A MET 737 ? A MET 39 6 1 Y 1 B GLY 699 ? B GLY 1 7 1 Y 1 B GLY 700 ? B GLY 2 8 1 Y 1 B LYS 736 ? B LYS 38 9 1 Y 1 B MET 737 ? B MET 39 10 1 Y 1 C GLY 699 ? C GLY 1 11 1 Y 1 C GLY 700 ? C GLY 2 12 1 Y 1 D GLY 699 ? D GLY 1 13 1 Y 1 D LYS 734 ? D LYS 36 14 1 Y 1 D LEU 735 ? D LEU 37 15 1 Y 1 D LYS 736 ? D LYS 38 16 1 Y 1 D MET 737 ? D MET 39 17 1 Y 1 E GLY 732 ? E GLY 34 18 1 Y 1 E SER 733 ? E SER 35 19 1 Y 1 E LYS 734 ? E LYS 36 20 1 Y 1 E LEU 735 ? E LEU 37 21 1 Y 1 E LYS 736 ? E LYS 38 22 1 Y 1 E MET 737 ? E MET 39 23 1 Y 1 F MET 737 ? F MET 39 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name water _pdbx_entity_nonpoly.comp_id HOH #