data_2RFA # _entry.id 2RFA # _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 2RFA RCSB RCSB044787 WWPDB D_1000044787 # _pdbx_database_status.entry_id 2RFA _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2007-09-28 _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 'Phelps, C.B.' 1 'Huang, R.J.' 2 'Wang, R.R.' 3 'Gaudet, R.' 4 # _citation.id primary _citation.title 'Structural analyses of the ankyrin repeat domain of TRPV6 and related TRPV ion channels.' _citation.journal_abbrev Biochemistry _citation.journal_volume 47 _citation.page_first 2476 _citation.page_last 2484 _citation.year 2008 _citation.journal_id_ASTM BICHAW _citation.country US _citation.journal_id_ISSN 0006-2960 _citation.journal_id_CSD 0033 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 18232717 _citation.pdbx_database_id_DOI 10.1021/bi702109w # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Phelps, C.B.' 1 primary 'Huang, R.J.' 2 primary 'Lishko, P.V.' 3 primary 'Wang, R.R.' 4 primary 'Gaudet, R.' 5 # _cell.length_a 30.762 _cell.length_b 63.045 _cell.length_c 116.140 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 90.000 _cell.entry_id 2RFA _cell.pdbx_unique_axis ? _cell.Z_PDB 4 _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 'P 21 21 21' _symmetry.entry_id 2RFA _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.Int_Tables_number 19 _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 'Transient receptor potential cation channel subfamily V member 6' 25707.594 1 ? ? 'Ankyrin Repeat Domain (residues 44-265)' ? 2 water nat water 18.015 227 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'TrpV6, Epithelial calcium channel 2, ECaC2, Calcium transport protein 1, CaT1' # _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 ;MIWESPLLLAAKENDVQALSKLLKFEGCEVHQRGAMGETALHIAALYDNLEAAMVLMEAAPELVFEPMTSELYEGQTALH IAVINQNVNLVRALLARGASVSARATGSVFHYRPHNLIYYGEHPLSFAACVGSEEIVRLLIEHGADIRAQDSLGNTVLHI LILQPNKTFACQMYNLLLSYDGGDHLKSLELVPNNQGLTPFKLAGVEGNIVMFQHLMQKRKHIAAAHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;MIWESPLLLAAKENDVQALSKLLKFEGCEVHQRGAMGETALHIAALYDNLEAAMVLMEAAPELVFEPMTSELYEGQTALH IAVINQNVNLVRALLARGASVSARATGSVFHYRPHNLIYYGEHPLSFAACVGSEEIVRLLIEHGADIRAQDSLGNTVLHI LILQPNKTFACQMYNLLLSYDGGDHLKSLELVPNNQGLTPFKLAGVEGNIVMFQHLMQKRKHIAAAHHHHHH ; _entity_poly.pdbx_strand_id A _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 MET n 1 2 ILE n 1 3 TRP n 1 4 GLU n 1 5 SER n 1 6 PRO n 1 7 LEU n 1 8 LEU n 1 9 LEU n 1 10 ALA n 1 11 ALA n 1 12 LYS n 1 13 GLU n 1 14 ASN n 1 15 ASP n 1 16 VAL n 1 17 GLN n 1 18 ALA n 1 19 LEU n 1 20 SER n 1 21 LYS n 1 22 LEU n 1 23 LEU n 1 24 LYS n 1 25 PHE n 1 26 GLU n 1 27 GLY n 1 28 CYS n 1 29 GLU n 1 30 VAL n 1 31 HIS n 1 32 GLN n 1 33 ARG n 1 34 GLY n 1 35 ALA n 1 36 MET n 1 37 GLY n 1 38 GLU n 1 39 THR n 1 40 ALA n 1 41 LEU n 1 42 HIS n 1 43 ILE n 1 44 ALA n 1 45 ALA n 1 46 LEU n 1 47 TYR n 1 48 ASP n 1 49 ASN n 1 50 LEU n 1 51 GLU n 1 52 ALA n 1 53 ALA n 1 54 MET n 1 55 VAL n 1 56 LEU n 1 57 MET n 1 58 GLU n 1 59 ALA n 1 60 ALA n 1 61 PRO n 1 62 GLU n 1 63 LEU n 1 64 VAL n 1 65 PHE n 1 66 GLU n 1 67 PRO n 1 68 MET n 1 69 THR n 1 70 SER n 1 71 GLU n 1 72 LEU n 1 73 TYR n 1 74 GLU n 1 75 GLY n 1 76 GLN n 1 77 THR n 1 78 ALA n 1 79 LEU n 1 80 HIS n 1 81 ILE n 1 82 ALA n 1 83 VAL n 1 84 ILE n 1 85 ASN n 1 86 GLN n 1 87 ASN n 1 88 VAL n 1 89 ASN n 1 90 LEU n 1 91 VAL n 1 92 ARG n 1 93 ALA n 1 94 LEU n 1 95 LEU n 1 96 ALA n 1 97 ARG n 1 98 GLY n 1 99 ALA n 1 100 SER n 1 101 VAL n 1 102 SER n 1 103 ALA n 1 104 ARG n 1 105 ALA n 1 106 THR n 1 107 GLY n 1 108 SER n 1 109 VAL n 1 110 PHE n 1 111 HIS n 1 112 TYR n 1 113 ARG n 1 114 PRO n 1 115 HIS n 1 116 ASN n 1 117 LEU n 1 118 ILE n 1 119 TYR n 1 120 TYR n 1 121 GLY n 1 122 GLU n 1 123 HIS n 1 124 PRO n 1 125 LEU n 1 126 SER n 1 127 PHE n 1 128 ALA n 1 129 ALA n 1 130 CYS n 1 131 VAL n 1 132 GLY n 1 133 SER n 1 134 GLU n 1 135 GLU n 1 136 ILE n 1 137 VAL n 1 138 ARG n 1 139 LEU n 1 140 LEU n 1 141 ILE n 1 142 GLU n 1 143 HIS n 1 144 GLY n 1 145 ALA n 1 146 ASP n 1 147 ILE n 1 148 ARG n 1 149 ALA n 1 150 GLN n 1 151 ASP n 1 152 SER n 1 153 LEU n 1 154 GLY n 1 155 ASN n 1 156 THR n 1 157 VAL n 1 158 LEU n 1 159 HIS n 1 160 ILE n 1 161 LEU n 1 162 ILE n 1 163 LEU n 1 164 GLN n 1 165 PRO n 1 166 ASN n 1 167 LYS n 1 168 THR n 1 169 PHE n 1 170 ALA n 1 171 CYS n 1 172 GLN n 1 173 MET n 1 174 TYR n 1 175 ASN n 1 176 LEU n 1 177 LEU n 1 178 LEU n 1 179 SER n 1 180 TYR n 1 181 ASP n 1 182 GLY n 1 183 GLY n 1 184 ASP n 1 185 HIS n 1 186 LEU n 1 187 LYS n 1 188 SER n 1 189 LEU n 1 190 GLU n 1 191 LEU n 1 192 VAL n 1 193 PRO n 1 194 ASN n 1 195 ASN n 1 196 GLN n 1 197 GLY n 1 198 LEU n 1 199 THR n 1 200 PRO n 1 201 PHE n 1 202 LYS n 1 203 LEU n 1 204 ALA n 1 205 GLY n 1 206 VAL n 1 207 GLU n 1 208 GLY n 1 209 ASN n 1 210 ILE n 1 211 VAL n 1 212 MET n 1 213 PHE n 1 214 GLN n 1 215 HIS n 1 216 LEU n 1 217 MET n 1 218 GLN n 1 219 LYS n 1 220 ARG n 1 221 LYS n 1 222 HIS n 1 223 ILE n 1 224 ALA n 1 225 ALA n 1 226 ALA n 1 227 HIS n 1 228 HIS n 1 229 HIS n 1 230 HIS n 1 231 HIS n 1 232 HIS 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 'house mouse' _entity_src_gen.gene_src_genus Mus _entity_src_gen.pdbx_gene_src_gene Trpv6 _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 'Mus musculus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10090 _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 Escherichia _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]' _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 pET21 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code TRPV6_MOUSE _struct_ref.pdbx_db_accession Q91WD2 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;IWESPLLLAAKENDVQALSKLLKFEGCEVHQRGAMGETALHIAALYDNLEAAMVLMEAAPELVFEPMTSELYEGQTALHI AVINQNVNLVRALLARGASVSARATGSVFHYRPHNLIYYGEHPLSFAACVGSEEIVRLLIEHGADIRAQDSLGNTVLHIL ILQPNKTFACQMYNLLLSYDGGDHLKSLELVPNNQGLTPFKLAGVEGNIVMFQHLMQKRKHI ; _struct_ref.pdbx_align_begin 44 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2RFA _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 2 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 223 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q91WD2 _struct_ref_seq.db_align_beg 44 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 265 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 44 _struct_ref_seq.pdbx_auth_seq_align_end 265 # 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 1 2RFA MET A 1 ? UNP Q91WD2 ? ? 'INITIATING METHIONINE' 43 1 1 2RFA ALA A 224 ? UNP Q91WD2 ? ? 'EXPRESSION TAG' 266 2 1 2RFA ALA A 225 ? UNP Q91WD2 ? ? 'EXPRESSION TAG' 267 3 1 2RFA ALA A 226 ? UNP Q91WD2 ? ? 'EXPRESSION TAG' 268 4 1 2RFA HIS A 227 ? UNP Q91WD2 ? ? 'EXPRESSION TAG' 269 5 1 2RFA HIS A 228 ? UNP Q91WD2 ? ? 'EXPRESSION TAG' 270 6 1 2RFA HIS A 229 ? UNP Q91WD2 ? ? 'EXPRESSION TAG' 271 7 1 2RFA HIS A 230 ? UNP Q91WD2 ? ? 'EXPRESSION TAG' 272 8 1 2RFA HIS A 231 ? UNP Q91WD2 ? ? 'EXPRESSION TAG' 273 9 1 2RFA HIS A 232 ? UNP Q91WD2 ? ? 'EXPRESSION TAG' 274 10 # 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 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 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.crystals_number 1 _exptl.entry_id 2RFA _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 2.30 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 46.41 _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 7.5 _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_details '0.1M NaHEPES, 0.1M K/Na Tartrate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _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 'ADSC QUANTUM 315' _diffrn_detector.pdbx_collection_date 2006-08-20 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator ? _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 0.97921 _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_wavelength ? _diffrn_source.pdbx_wavelength_list 0.97921 _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 24-ID-C # _reflns.entry_id 2RFA _reflns.observed_criterion_sigma_F 1.0 _reflns.observed_criterion_sigma_I 1.0 _reflns.d_resolution_high 1.7 _reflns.d_resolution_low 8 _reflns.number_all ? _reflns.number_obs 25172 _reflns.percent_possible_obs 99.08 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.044 _reflns.pdbx_netI_over_sigmaI 18.0 _reflns.B_iso_Wilson_estimate 40.7 _reflns.pdbx_redundancy 7.5 _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 1.7 _reflns_shell.d_res_low 1.742 _reflns_shell.percent_possible_obs ? _reflns_shell.percent_possible_all 95.34 _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_obs 3.4 _reflns_shell.pdbx_Rsym_value 0.445 _reflns_shell.pdbx_redundancy 6.4 _reflns_shell.number_unique_all 1586 _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 2RFA _refine.ls_d_res_high 1.700 _refine.ls_d_res_low 7.990 _refine.pdbx_ls_sigma_F 0.00 _refine.ls_percent_reflns_obs 99.080 _refine.ls_number_reflns_obs 25172 _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 0.170 _refine.ls_R_factor_R_work 0.168 _refine.ls_R_factor_R_free 0.207 _refine.ls_percent_reflns_R_free 5.100 _refine.ls_number_reflns_R_free 1272 _refine.B_iso_mean 27.587 _refine.aniso_B[1][1] -0.030 _refine.aniso_B[2][2] -0.010 _refine.aniso_B[3][3] 0.040 _refine.aniso_B[1][2] 0.000 _refine.aniso_B[1][3] 0.000 _refine.aniso_B[2][3] 0.000 _refine.correlation_coeff_Fo_to_Fc 0.971 _refine.correlation_coeff_Fo_to_Fc_free 0.956 _refine.pdbx_overall_ESU_R 0.102 _refine.pdbx_overall_ESU_R_Free 0.103 _refine.overall_SU_ML 0.068 _refine.overall_SU_B 4.088 _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 SIRAS _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _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.occupancy_max ? _refine.occupancy_min ? _refine.pdbx_isotropic_thermal_model ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_data_cutoff_high_rms_absF ? _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_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' _refine.pdbx_diffrn_id 1 _refine.pdbx_overall_phase_error ? _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 1722 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 227 _refine_hist.number_atoms_total 1949 _refine_hist.d_res_high 1.700 _refine_hist.d_res_low 7.990 # 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 1790 0.014 0.022 ? 'X-RAY DIFFRACTION' ? r_bond_other_d 1172 0.001 0.020 ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 2437 1.372 1.966 ? 'X-RAY DIFFRACTION' ? r_angle_other_deg 2889 0.955 3.000 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 233 6.171 5.000 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 79 40.327 24.684 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 311 15.994 15.000 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 8 16.129 15.000 ? 'X-RAY DIFFRACTION' ? r_chiral_restr 283 0.081 0.200 ? 'X-RAY DIFFRACTION' ? r_gen_planes_refined 2005 0.006 0.020 ? 'X-RAY DIFFRACTION' ? r_gen_planes_other 342 0.001 0.020 ? 'X-RAY DIFFRACTION' ? r_nbd_refined 448 0.226 0.200 ? 'X-RAY DIFFRACTION' ? r_nbd_other 1335 0.190 0.200 ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 902 0.178 0.200 ? 'X-RAY DIFFRACTION' ? r_nbtor_other 914 0.087 0.200 ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 159 0.214 0.200 ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 22 0.194 0.200 ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other 35 0.176 0.200 ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 37 0.181 0.200 ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1458 1.082 1.500 ? 'X-RAY DIFFRACTION' ? r_mcbond_other 457 0.233 1.500 ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1805 1.248 2.000 ? 'X-RAY DIFFRACTION' ? r_scbond_it 740 2.225 3.000 ? 'X-RAY DIFFRACTION' ? r_scangle_it 627 3.280 4.500 ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.d_res_high 1.700 _refine_ls_shell.d_res_low 1.742 _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.percent_reflns_obs 95.340 _refine_ls_shell.number_reflns_R_work 1586 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_R_work 0.241 _refine_ls_shell.R_factor_R_free 0.280 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 92 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.number_reflns_all 1678 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 2RFA _struct.title 'Crystal structure of the mouse TRPV6 ankyrin repeat domain' _struct.pdbx_descriptor 'Transient receptor potential cation channel subfamily V member 6' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2RFA _struct_keywords.pdbx_keywords 'MEMBRANE PROTEIN' _struct_keywords.text ;TRPV6, ankyrin reapeat, transient receptor potential, ANK repeat, Calcium channel, Calcium transport, Calmodulin-binding, Glycoprotein, Ion transport, Ionic channel, Membrane, Transmembrane, Transport, 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 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 SER A 5 ? GLU A 13 ? SER A 47 GLU A 55 1 ? 9 HELX_P HELX_P2 2 ASP A 15 ? LYS A 24 ? ASP A 57 LYS A 66 1 ? 10 HELX_P HELX_P3 3 THR A 39 ? TYR A 47 ? THR A 81 TYR A 89 1 ? 9 HELX_P HELX_P4 4 ASN A 49 ? ALA A 60 ? ASN A 91 ALA A 102 1 ? 12 HELX_P HELX_P5 5 PRO A 61 ? GLU A 66 ? PRO A 103 GLU A 108 5 ? 6 HELX_P HELX_P6 6 THR A 77 ? ASN A 85 ? THR A 119 ASN A 127 1 ? 9 HELX_P HELX_P7 7 ASN A 87 ? ARG A 97 ? ASN A 129 ARG A 139 1 ? 11 HELX_P HELX_P8 8 GLY A 107 ? HIS A 111 ? GLY A 149 HIS A 153 5 ? 5 HELX_P HELX_P9 9 HIS A 123 ? GLY A 132 ? HIS A 165 GLY A 174 1 ? 10 HELX_P HELX_P10 10 SER A 133 ? HIS A 143 ? SER A 175 HIS A 185 1 ? 11 HELX_P HELX_P11 11 THR A 156 ? LEU A 163 ? THR A 198 LEU A 205 1 ? 8 HELX_P HELX_P12 12 ASN A 166 ? TYR A 180 ? ASN A 208 TYR A 222 1 ? 15 HELX_P HELX_P13 13 SER A 188 ? VAL A 192 ? SER A 230 VAL A 234 5 ? 5 HELX_P HELX_P14 14 THR A 199 ? GLY A 208 ? THR A 241 GLY A 250 1 ? 10 HELX_P HELX_P15 15 ASN A 209 ? ILE A 223 ? ASN A 251 ILE A 265 1 ? 15 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _atom_sites.entry_id 2RFA _atom_sites.fract_transf_matrix[1][1] 0.032508 _atom_sites.fract_transf_matrix[1][2] 0.000000 _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] 0.015862 _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] 0.008610 _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 MET 1 43 ? ? ? A . n A 1 2 ILE 2 44 44 ILE ILE A . n A 1 3 TRP 3 45 45 TRP TRP A . n A 1 4 GLU 4 46 46 GLU GLU A . n A 1 5 SER 5 47 47 SER SER A . n A 1 6 PRO 6 48 48 PRO PRO A . n A 1 7 LEU 7 49 49 LEU LEU A . n A 1 8 LEU 8 50 50 LEU LEU A . n A 1 9 LEU 9 51 51 LEU LEU A . n A 1 10 ALA 10 52 52 ALA ALA A . n A 1 11 ALA 11 53 53 ALA ALA A . n A 1 12 LYS 12 54 54 LYS LYS A . n A 1 13 GLU 13 55 55 GLU GLU A . n A 1 14 ASN 14 56 56 ASN ASN A . n A 1 15 ASP 15 57 57 ASP ASP A . n A 1 16 VAL 16 58 58 VAL VAL A . n A 1 17 GLN 17 59 59 GLN GLN A . n A 1 18 ALA 18 60 60 ALA ALA A . n A 1 19 LEU 19 61 61 LEU LEU A . n A 1 20 SER 20 62 62 SER SER A . n A 1 21 LYS 21 63 63 LYS LYS A . n A 1 22 LEU 22 64 64 LEU LEU A . n A 1 23 LEU 23 65 65 LEU LEU A . n A 1 24 LYS 24 66 66 LYS LYS A . n A 1 25 PHE 25 67 67 PHE PHE A . n A 1 26 GLU 26 68 68 GLU GLU A . n A 1 27 GLY 27 69 69 GLY GLY A . n A 1 28 CYS 28 70 70 CYS CYS A . n A 1 29 GLU 29 71 71 GLU GLU A . n A 1 30 VAL 30 72 72 VAL VAL A . n A 1 31 HIS 31 73 73 HIS HIS A . n A 1 32 GLN 32 74 74 GLN GLN A . n A 1 33 ARG 33 75 75 ARG ARG A . n A 1 34 GLY 34 76 76 GLY GLY A . n A 1 35 ALA 35 77 77 ALA ALA A . n A 1 36 MET 36 78 78 MET MET A . n A 1 37 GLY 37 79 79 GLY GLY A . n A 1 38 GLU 38 80 80 GLU GLU A . n A 1 39 THR 39 81 81 THR THR A . n A 1 40 ALA 40 82 82 ALA ALA A . n A 1 41 LEU 41 83 83 LEU LEU A . n A 1 42 HIS 42 84 84 HIS HIS A . n A 1 43 ILE 43 85 85 ILE ILE A . n A 1 44 ALA 44 86 86 ALA ALA A . n A 1 45 ALA 45 87 87 ALA ALA A . n A 1 46 LEU 46 88 88 LEU LEU A . n A 1 47 TYR 47 89 89 TYR TYR A . n A 1 48 ASP 48 90 90 ASP ASP A . n A 1 49 ASN 49 91 91 ASN ASN A . n A 1 50 LEU 50 92 92 LEU LEU A . n A 1 51 GLU 51 93 93 GLU GLU A . n A 1 52 ALA 52 94 94 ALA ALA A . n A 1 53 ALA 53 95 95 ALA ALA A . n A 1 54 MET 54 96 96 MET MET A . n A 1 55 VAL 55 97 97 VAL VAL A . n A 1 56 LEU 56 98 98 LEU LEU A . n A 1 57 MET 57 99 99 MET MET A . n A 1 58 GLU 58 100 100 GLU GLU A . n A 1 59 ALA 59 101 101 ALA ALA A . n A 1 60 ALA 60 102 102 ALA ALA A . n A 1 61 PRO 61 103 103 PRO PRO A . n A 1 62 GLU 62 104 104 GLU GLU A . n A 1 63 LEU 63 105 105 LEU LEU A . n A 1 64 VAL 64 106 106 VAL VAL A . n A 1 65 PHE 65 107 107 PHE PHE A . n A 1 66 GLU 66 108 108 GLU GLU A . n A 1 67 PRO 67 109 109 PRO PRO A . n A 1 68 MET 68 110 110 MET MET A . n A 1 69 THR 69 111 111 THR THR A . n A 1 70 SER 70 112 112 SER SER A . n A 1 71 GLU 71 113 113 GLU GLU A . n A 1 72 LEU 72 114 114 LEU LEU A . n A 1 73 TYR 73 115 115 TYR TYR A . n A 1 74 GLU 74 116 116 GLU GLU A . n A 1 75 GLY 75 117 117 GLY GLY A . n A 1 76 GLN 76 118 118 GLN GLN A . n A 1 77 THR 77 119 119 THR THR A . n A 1 78 ALA 78 120 120 ALA ALA A . n A 1 79 LEU 79 121 121 LEU LEU A . n A 1 80 HIS 80 122 122 HIS HIS A . n A 1 81 ILE 81 123 123 ILE ILE A . n A 1 82 ALA 82 124 124 ALA ALA A . n A 1 83 VAL 83 125 125 VAL VAL A . n A 1 84 ILE 84 126 126 ILE ILE A . n A 1 85 ASN 85 127 127 ASN ASN A . n A 1 86 GLN 86 128 128 GLN GLN A . n A 1 87 ASN 87 129 129 ASN ASN A . n A 1 88 VAL 88 130 130 VAL VAL A . n A 1 89 ASN 89 131 131 ASN ASN A . n A 1 90 LEU 90 132 132 LEU LEU A . n A 1 91 VAL 91 133 133 VAL VAL A . n A 1 92 ARG 92 134 134 ARG ARG A . n A 1 93 ALA 93 135 135 ALA ALA A . n A 1 94 LEU 94 136 136 LEU LEU A . n A 1 95 LEU 95 137 137 LEU LEU A . n A 1 96 ALA 96 138 138 ALA ALA A . n A 1 97 ARG 97 139 139 ARG ARG A . n A 1 98 GLY 98 140 140 GLY GLY A . n A 1 99 ALA 99 141 141 ALA ALA A . n A 1 100 SER 100 142 142 SER SER A . n A 1 101 VAL 101 143 143 VAL VAL A . n A 1 102 SER 102 144 144 SER SER A . n A 1 103 ALA 103 145 145 ALA ALA A . n A 1 104 ARG 104 146 146 ARG ARG A . n A 1 105 ALA 105 147 147 ALA ALA A . n A 1 106 THR 106 148 148 THR THR A . n A 1 107 GLY 107 149 149 GLY GLY A . n A 1 108 SER 108 150 150 SER SER A . n A 1 109 VAL 109 151 151 VAL VAL A . n A 1 110 PHE 110 152 152 PHE PHE A . n A 1 111 HIS 111 153 153 HIS HIS A . n A 1 112 TYR 112 154 154 TYR TYR A . n A 1 113 ARG 113 155 155 ARG ARG A . n A 1 114 PRO 114 156 156 PRO PRO A . n A 1 115 HIS 115 157 157 HIS HIS A . n A 1 116 ASN 116 158 158 ASN ASN A . n A 1 117 LEU 117 159 159 LEU LEU A . n A 1 118 ILE 118 160 160 ILE ILE A . n A 1 119 TYR 119 161 161 TYR TYR A . n A 1 120 TYR 120 162 162 TYR TYR A . n A 1 121 GLY 121 163 163 GLY GLY A . n A 1 122 GLU 122 164 164 GLU GLU A . n A 1 123 HIS 123 165 165 HIS HIS A . n A 1 124 PRO 124 166 166 PRO PRO A . n A 1 125 LEU 125 167 167 LEU LEU A . n A 1 126 SER 126 168 168 SER SER A . n A 1 127 PHE 127 169 169 PHE PHE A . n A 1 128 ALA 128 170 170 ALA ALA A . n A 1 129 ALA 129 171 171 ALA ALA A . n A 1 130 CYS 130 172 172 CYS CYS A . n A 1 131 VAL 131 173 173 VAL VAL A . n A 1 132 GLY 132 174 174 GLY GLY A . n A 1 133 SER 133 175 175 SER SER A . n A 1 134 GLU 134 176 176 GLU GLU A . n A 1 135 GLU 135 177 177 GLU GLU A . n A 1 136 ILE 136 178 178 ILE ILE A . n A 1 137 VAL 137 179 179 VAL VAL A . n A 1 138 ARG 138 180 180 ARG ARG A . n A 1 139 LEU 139 181 181 LEU LEU A . n A 1 140 LEU 140 182 182 LEU LEU A . n A 1 141 ILE 141 183 183 ILE ILE A . n A 1 142 GLU 142 184 184 GLU GLU A . n A 1 143 HIS 143 185 185 HIS HIS A . n A 1 144 GLY 144 186 186 GLY GLY A . n A 1 145 ALA 145 187 187 ALA ALA A . n A 1 146 ASP 146 188 188 ASP ASP A . n A 1 147 ILE 147 189 189 ILE ILE A . n A 1 148 ARG 148 190 190 ARG ARG A . n A 1 149 ALA 149 191 191 ALA ALA A . n A 1 150 GLN 150 192 192 GLN GLN A . n A 1 151 ASP 151 193 193 ASP ASP A . n A 1 152 SER 152 194 194 SER SER A . n A 1 153 LEU 153 195 195 LEU LEU A . n A 1 154 GLY 154 196 196 GLY GLY A . n A 1 155 ASN 155 197 197 ASN ASN A . n A 1 156 THR 156 198 198 THR THR A . n A 1 157 VAL 157 199 199 VAL VAL A . n A 1 158 LEU 158 200 200 LEU LEU A . n A 1 159 HIS 159 201 201 HIS HIS A . n A 1 160 ILE 160 202 202 ILE ILE A . n A 1 161 LEU 161 203 203 LEU LEU A . n A 1 162 ILE 162 204 204 ILE ILE A . n A 1 163 LEU 163 205 205 LEU LEU A . n A 1 164 GLN 164 206 206 GLN GLN A . n A 1 165 PRO 165 207 207 PRO PRO A . n A 1 166 ASN 166 208 208 ASN ASN A . n A 1 167 LYS 167 209 209 LYS LYS A . n A 1 168 THR 168 210 210 THR THR A . n A 1 169 PHE 169 211 211 PHE PHE A . n A 1 170 ALA 170 212 212 ALA ALA A . n A 1 171 CYS 171 213 213 CYS CYS A . n A 1 172 GLN 172 214 214 GLN GLN A . n A 1 173 MET 173 215 215 MET MET A . n A 1 174 TYR 174 216 216 TYR TYR A . n A 1 175 ASN 175 217 217 ASN ASN A . n A 1 176 LEU 176 218 218 LEU LEU A . n A 1 177 LEU 177 219 219 LEU LEU A . n A 1 178 LEU 178 220 220 LEU LEU A . n A 1 179 SER 179 221 221 SER SER A . n A 1 180 TYR 180 222 222 TYR TYR A . n A 1 181 ASP 181 223 223 ASP ASP A . n A 1 182 GLY 182 224 224 GLY GLY A . n A 1 183 GLY 183 225 225 GLY GLY A . n A 1 184 ASP 184 226 226 ASP ASP A . n A 1 185 HIS 185 227 227 HIS HIS A . n A 1 186 LEU 186 228 228 LEU LEU A . n A 1 187 LYS 187 229 229 LYS LYS A . n A 1 188 SER 188 230 230 SER SER A . n A 1 189 LEU 189 231 231 LEU LEU A . n A 1 190 GLU 190 232 232 GLU GLU A . n A 1 191 LEU 191 233 233 LEU LEU A . n A 1 192 VAL 192 234 234 VAL VAL A . n A 1 193 PRO 193 235 235 PRO PRO A . n A 1 194 ASN 194 236 236 ASN ASN A . n A 1 195 ASN 195 237 237 ASN ASN A . n A 1 196 GLN 196 238 238 GLN GLN A . n A 1 197 GLY 197 239 239 GLY GLY A . n A 1 198 LEU 198 240 240 LEU LEU A . n A 1 199 THR 199 241 241 THR THR A . n A 1 200 PRO 200 242 242 PRO PRO A . n A 1 201 PHE 201 243 243 PHE PHE A . n A 1 202 LYS 202 244 244 LYS LYS A . n A 1 203 LEU 203 245 245 LEU LEU A . n A 1 204 ALA 204 246 246 ALA ALA A . n A 1 205 GLY 205 247 247 GLY GLY A . n A 1 206 VAL 206 248 248 VAL VAL A . n A 1 207 GLU 207 249 249 GLU GLU A . n A 1 208 GLY 208 250 250 GLY GLY A . n A 1 209 ASN 209 251 251 ASN ASN A . n A 1 210 ILE 210 252 252 ILE ILE A . n A 1 211 VAL 211 253 253 VAL VAL A . n A 1 212 MET 212 254 254 MET MET A . n A 1 213 PHE 213 255 255 PHE PHE A . n A 1 214 GLN 214 256 256 GLN GLN A . n A 1 215 HIS 215 257 257 HIS HIS A . n A 1 216 LEU 216 258 258 LEU LEU A . n A 1 217 MET 217 259 259 MET MET A . n A 1 218 GLN 218 260 260 GLN GLN A . n A 1 219 LYS 219 261 261 LYS LYS A . n A 1 220 ARG 220 262 262 ARG ARG A . n A 1 221 LYS 221 263 263 LYS LYS A . n A 1 222 HIS 222 264 264 HIS HIS A . n A 1 223 ILE 223 265 265 ILE ILE A . n A 1 224 ALA 224 266 ? ? ? A . n A 1 225 ALA 225 267 ? ? ? A . n A 1 226 ALA 226 268 ? ? ? A . n A 1 227 HIS 227 269 ? ? ? A . n A 1 228 HIS 228 270 ? ? ? A . n A 1 229 HIS 229 271 ? ? ? A . n A 1 230 HIS 230 272 ? ? ? A . n A 1 231 HIS 231 273 ? ? ? A . n A 1 232 HIS 232 274 ? ? ? A . 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 B 2 HOH 1 266 1 HOH HOH A . B 2 HOH 2 267 2 HOH HOH A . B 2 HOH 3 268 3 HOH HOH A . B 2 HOH 4 269 4 HOH HOH A . B 2 HOH 5 270 5 HOH HOH A . B 2 HOH 6 271 6 HOH HOH A . B 2 HOH 7 272 7 HOH HOH A . B 2 HOH 8 273 8 HOH HOH A . B 2 HOH 9 274 9 HOH HOH A . B 2 HOH 10 275 10 HOH HOH A . B 2 HOH 11 276 11 HOH HOH A . B 2 HOH 12 277 12 HOH HOH A . B 2 HOH 13 278 13 HOH HOH A . B 2 HOH 14 279 14 HOH HOH A . B 2 HOH 15 280 15 HOH HOH A . B 2 HOH 16 281 16 HOH HOH A . B 2 HOH 17 282 17 HOH HOH A . B 2 HOH 18 283 18 HOH HOH A . B 2 HOH 19 284 19 HOH HOH A . B 2 HOH 20 285 20 HOH HOH A . B 2 HOH 21 286 21 HOH HOH A . B 2 HOH 22 287 22 HOH HOH A . B 2 HOH 23 288 23 HOH HOH A . B 2 HOH 24 289 24 HOH HOH A . B 2 HOH 25 290 25 HOH HOH A . B 2 HOH 26 291 26 HOH HOH A . B 2 HOH 27 292 27 HOH HOH A . B 2 HOH 28 293 28 HOH HOH A . B 2 HOH 29 294 29 HOH HOH A . B 2 HOH 30 295 30 HOH HOH A . B 2 HOH 31 296 31 HOH HOH A . B 2 HOH 32 297 32 HOH HOH A . B 2 HOH 33 298 33 HOH HOH A . B 2 HOH 34 299 34 HOH HOH A . B 2 HOH 35 300 35 HOH HOH A . B 2 HOH 36 301 36 HOH HOH A . B 2 HOH 37 302 37 HOH HOH A . B 2 HOH 38 303 38 HOH HOH A . B 2 HOH 39 304 39 HOH HOH A . B 2 HOH 40 305 40 HOH HOH A . B 2 HOH 41 306 41 HOH HOH A . B 2 HOH 42 307 42 HOH HOH A . B 2 HOH 43 308 43 HOH HOH A . B 2 HOH 44 309 44 HOH HOH A . B 2 HOH 45 310 45 HOH HOH A . B 2 HOH 46 311 46 HOH HOH A . B 2 HOH 47 312 47 HOH HOH A . B 2 HOH 48 313 48 HOH HOH A . B 2 HOH 49 314 49 HOH HOH A . B 2 HOH 50 315 50 HOH HOH A . B 2 HOH 51 316 51 HOH HOH A . B 2 HOH 52 317 52 HOH HOH A . B 2 HOH 53 318 53 HOH HOH A . B 2 HOH 54 319 54 HOH HOH A . B 2 HOH 55 320 55 HOH HOH A . B 2 HOH 56 321 56 HOH HOH A . B 2 HOH 57 322 57 HOH HOH A . B 2 HOH 58 323 58 HOH HOH A . B 2 HOH 59 324 59 HOH HOH A . B 2 HOH 60 325 60 HOH HOH A . B 2 HOH 61 326 61 HOH HOH A . B 2 HOH 62 327 62 HOH HOH A . B 2 HOH 63 328 63 HOH HOH A . B 2 HOH 64 329 64 HOH HOH A . B 2 HOH 65 330 65 HOH HOH A . B 2 HOH 66 331 66 HOH HOH A . B 2 HOH 67 332 67 HOH HOH A . B 2 HOH 68 333 68 HOH HOH A . B 2 HOH 69 334 69 HOH HOH A . B 2 HOH 70 335 70 HOH HOH A . B 2 HOH 71 336 71 HOH HOH A . B 2 HOH 72 337 72 HOH HOH A . B 2 HOH 73 338 73 HOH HOH A . B 2 HOH 74 339 74 HOH HOH A . B 2 HOH 75 340 75 HOH HOH A . B 2 HOH 76 341 76 HOH HOH A . B 2 HOH 77 342 77 HOH HOH A . B 2 HOH 78 343 78 HOH HOH A . B 2 HOH 79 344 79 HOH HOH A . B 2 HOH 80 345 80 HOH HOH A . B 2 HOH 81 346 81 HOH HOH A . B 2 HOH 82 347 82 HOH HOH A . B 2 HOH 83 348 83 HOH HOH A . B 2 HOH 84 349 84 HOH HOH A . B 2 HOH 85 350 85 HOH HOH A . B 2 HOH 86 351 86 HOH HOH A . B 2 HOH 87 352 87 HOH HOH A . B 2 HOH 88 353 88 HOH HOH A . B 2 HOH 89 354 89 HOH HOH A . B 2 HOH 90 355 90 HOH HOH A . B 2 HOH 91 356 91 HOH HOH A . B 2 HOH 92 357 92 HOH HOH A . B 2 HOH 93 358 93 HOH HOH A . B 2 HOH 94 359 94 HOH HOH A . B 2 HOH 95 360 95 HOH HOH A . B 2 HOH 96 361 96 HOH HOH A . B 2 HOH 97 362 97 HOH HOH A . B 2 HOH 98 363 98 HOH HOH A . B 2 HOH 99 364 99 HOH HOH A . B 2 HOH 100 365 100 HOH HOH A . B 2 HOH 101 366 101 HOH HOH A . B 2 HOH 102 367 102 HOH HOH A . B 2 HOH 103 368 103 HOH HOH A . B 2 HOH 104 369 104 HOH HOH A . B 2 HOH 105 370 105 HOH HOH A . B 2 HOH 106 371 106 HOH HOH A . B 2 HOH 107 372 107 HOH HOH A . B 2 HOH 108 373 108 HOH HOH A . B 2 HOH 109 374 109 HOH HOH A . B 2 HOH 110 375 110 HOH HOH A . B 2 HOH 111 376 111 HOH HOH A . B 2 HOH 112 377 112 HOH HOH A . B 2 HOH 113 378 113 HOH HOH A . B 2 HOH 114 379 114 HOH HOH A . B 2 HOH 115 380 115 HOH HOH A . B 2 HOH 116 381 116 HOH HOH A . B 2 HOH 117 382 117 HOH HOH A . B 2 HOH 118 383 118 HOH HOH A . B 2 HOH 119 384 119 HOH HOH A . B 2 HOH 120 385 120 HOH HOH A . B 2 HOH 121 386 121 HOH HOH A . B 2 HOH 122 387 122 HOH HOH A . B 2 HOH 123 388 123 HOH HOH A . B 2 HOH 124 389 124 HOH HOH A . B 2 HOH 125 390 125 HOH HOH A . B 2 HOH 126 391 126 HOH HOH A . B 2 HOH 127 392 127 HOH HOH A . B 2 HOH 128 393 128 HOH HOH A . B 2 HOH 129 394 129 HOH HOH A . B 2 HOH 130 395 130 HOH HOH A . B 2 HOH 131 396 131 HOH HOH A . B 2 HOH 132 397 132 HOH HOH A . B 2 HOH 133 398 133 HOH HOH A . B 2 HOH 134 399 134 HOH HOH A . B 2 HOH 135 400 135 HOH HOH A . B 2 HOH 136 401 136 HOH HOH A . B 2 HOH 137 402 137 HOH HOH A . B 2 HOH 138 403 138 HOH HOH A . B 2 HOH 139 404 139 HOH HOH A . B 2 HOH 140 405 140 HOH HOH A . B 2 HOH 141 406 141 HOH HOH A . B 2 HOH 142 407 142 HOH HOH A . B 2 HOH 143 408 143 HOH HOH A . B 2 HOH 144 409 144 HOH HOH A . B 2 HOH 145 410 145 HOH HOH A . B 2 HOH 146 411 146 HOH HOH A . B 2 HOH 147 412 147 HOH HOH A . B 2 HOH 148 413 148 HOH HOH A . B 2 HOH 149 414 149 HOH HOH A . B 2 HOH 150 415 150 HOH HOH A . B 2 HOH 151 416 151 HOH HOH A . B 2 HOH 152 417 152 HOH HOH A . B 2 HOH 153 418 153 HOH HOH A . B 2 HOH 154 419 154 HOH HOH A . B 2 HOH 155 420 155 HOH HOH A . B 2 HOH 156 421 156 HOH HOH A . B 2 HOH 157 422 157 HOH HOH A . B 2 HOH 158 423 158 HOH HOH A . B 2 HOH 159 424 159 HOH HOH A . B 2 HOH 160 425 160 HOH HOH A . B 2 HOH 161 426 161 HOH HOH A . B 2 HOH 162 427 162 HOH HOH A . B 2 HOH 163 428 163 HOH HOH A . B 2 HOH 164 429 164 HOH HOH A . B 2 HOH 165 430 165 HOH HOH A . B 2 HOH 166 431 166 HOH HOH A . B 2 HOH 167 432 167 HOH HOH A . B 2 HOH 168 433 168 HOH HOH A . B 2 HOH 169 434 169 HOH HOH A . B 2 HOH 170 435 170 HOH HOH A . B 2 HOH 171 436 171 HOH HOH A . B 2 HOH 172 437 172 HOH HOH A . B 2 HOH 173 438 173 HOH HOH A . B 2 HOH 174 439 174 HOH HOH A . B 2 HOH 175 440 175 HOH HOH A . B 2 HOH 176 441 176 HOH HOH A . B 2 HOH 177 442 177 HOH HOH A . B 2 HOH 178 443 178 HOH HOH A . B 2 HOH 179 444 179 HOH HOH A . B 2 HOH 180 445 180 HOH HOH A . B 2 HOH 181 446 181 HOH HOH A . B 2 HOH 182 447 182 HOH HOH A . B 2 HOH 183 448 183 HOH HOH A . B 2 HOH 184 449 184 HOH HOH A . B 2 HOH 185 450 185 HOH HOH A . B 2 HOH 186 451 186 HOH HOH A . B 2 HOH 187 452 187 HOH HOH A . B 2 HOH 188 453 188 HOH HOH A . B 2 HOH 189 454 189 HOH HOH A . B 2 HOH 190 455 190 HOH HOH A . B 2 HOH 191 456 191 HOH HOH A . B 2 HOH 192 457 192 HOH HOH A . B 2 HOH 193 458 193 HOH HOH A . B 2 HOH 194 459 194 HOH HOH A . B 2 HOH 195 460 195 HOH HOH A . B 2 HOH 196 461 196 HOH HOH A . B 2 HOH 197 462 197 HOH HOH A . B 2 HOH 198 463 198 HOH HOH A . B 2 HOH 199 464 199 HOH HOH A . B 2 HOH 200 465 200 HOH HOH A . B 2 HOH 201 466 201 HOH HOH A . B 2 HOH 202 467 202 HOH HOH A . B 2 HOH 203 468 203 HOH HOH A . B 2 HOH 204 469 204 HOH HOH A . B 2 HOH 205 470 205 HOH HOH A . B 2 HOH 206 471 206 HOH HOH A . B 2 HOH 207 472 207 HOH HOH A . B 2 HOH 208 473 208 HOH HOH A . B 2 HOH 209 474 209 HOH HOH A . B 2 HOH 210 475 210 HOH HOH A . B 2 HOH 211 476 211 HOH HOH A . B 2 HOH 212 477 212 HOH HOH A . B 2 HOH 213 478 213 HOH HOH A . B 2 HOH 214 479 214 HOH HOH A . B 2 HOH 215 480 215 HOH HOH A . B 2 HOH 216 481 216 HOH HOH A . B 2 HOH 217 482 217 HOH HOH A . B 2 HOH 218 483 218 HOH HOH A . B 2 HOH 219 484 219 HOH HOH A . B 2 HOH 220 485 220 HOH HOH A . B 2 HOH 221 486 221 HOH HOH A . B 2 HOH 222 487 222 HOH HOH A . B 2 HOH 223 488 223 HOH HOH A . B 2 HOH 224 489 224 HOH HOH A . B 2 HOH 225 490 225 HOH HOH A . B 2 HOH 226 491 226 HOH HOH A . B 2 HOH 227 492 227 HOH HOH A . # _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 monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B # _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 2008-02-19 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_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 32.5539 25.8064 11.7263 0.9137 0.1561 0.2654 -0.0957 0.1290 0.0964 29.6916 37.9335 47.4547 -0.6272 -6.4245 -27.4881 -0.1048 0.1469 -0.0421 -2.7287 -1.8155 1.0740 3.3062 2.8220 -0.4677 'X-RAY DIFFRACTION' 2 ? refined 32.4147 32.1263 3.1561 0.1339 -0.0405 0.0302 -0.0273 0.0087 -0.0108 7.1655 4.3803 8.5584 0.2476 -5.6989 -0.8721 -0.4348 0.1333 0.3015 0.7578 -0.5896 0.3628 -0.5362 1.1708 -0.6072 'X-RAY DIFFRACTION' 3 ? refined 31.0005 41.2589 6.7480 -0.0979 -0.1048 -0.0572 0.0023 -0.0077 0.0103 5.6900 2.5244 3.6998 -1.2104 -0.1654 1.0492 0.0406 -0.1474 0.1068 0.0650 -0.0639 0.0821 -0.3012 0.0902 0.0658 'X-RAY DIFFRACTION' 4 ? refined 26.1519 47.8134 13.7956 -0.1332 -0.0638 -0.0316 -0.0054 -0.0163 -0.0112 2.5275 2.7010 3.5443 -0.2209 -0.5662 0.4698 0.0511 -0.0592 0.0081 -0.1266 -0.1609 0.1215 0.0347 -0.0837 -0.0516 'X-RAY DIFFRACTION' 5 ? refined 24.0315 49.0558 30.5915 0.0634 0.0320 0.0453 -0.0521 0.0264 0.1183 18.2823 22.4143 29.4513 3.9926 -0.5992 -9.6456 0.2564 -0.5178 0.2613 -1.6679 -1.5024 -0.2801 1.3225 1.2390 -0.1166 'X-RAY DIFFRACTION' 6 ? refined 25.2135 59.7982 18.0067 -0.0549 -0.1002 -0.0454 -0.0164 -0.0084 -0.0377 1.9969 2.0679 4.8046 -0.5751 -0.9955 1.8186 0.0757 -0.0720 -0.0038 -0.0998 0.1941 0.0717 -0.2295 -0.5441 -0.0151 'X-RAY DIFFRACTION' 7 ? refined 30.6717 65.2877 24.0611 -0.1367 0.0030 0.0197 -0.0642 0.0091 -0.1172 3.2208 16.0431 13.9912 3.5703 -3.0143 -0.0770 0.1733 0.0714 -0.2447 -0.3680 0.0246 -0.9050 -0.2411 -0.3545 0.5553 'X-RAY DIFFRACTION' 8 ? refined 16.6782 73.7978 19.1537 0.5311 0.2096 0.4043 0.2052 -0.0844 0.0992 20.5573 24.9120 30.9218 -3.0105 -10.6726 3.2664 0.8249 -0.4158 -0.4090 2.0386 2.2781 1.0608 -2.9551 -2.1880 -2.0300 'X-RAY DIFFRACTION' 9 ? refined 21.6102 66.4256 33.3597 -0.0848 0.0536 0.0136 -0.0224 0.0569 -0.1347 8.6116 4.8810 5.4585 3.5040 5.0067 3.1324 0.2056 -0.3493 0.1436 -0.1891 0.1993 0.3083 0.2531 -0.1003 -0.1893 'X-RAY DIFFRACTION' 10 ? refined 24.9693 78.0545 31.0209 0.1006 0.2859 0.3923 0.1045 0.0490 0.0176 25.6283 63.7170 5.2618 0.5376 5.1475 -16.3036 -0.6312 0.4745 0.1567 0.3323 3.4114 -0.9901 -0.2644 -0.2313 -0.9970 'X-RAY DIFFRACTION' # loop_ _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _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.selection _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.pdbx_refine_id _pdbx_refine_tls_group.selection_details 1 1 A 2 A 6 ? A 44 A 48 'X-RAY DIFFRACTION' ? 2 2 A 7 A 35 ? A 49 A 77 'X-RAY DIFFRACTION' ? 3 3 A 36 A 65 ? A 78 A 107 'X-RAY DIFFRACTION' ? 4 4 A 66 A 111 ? A 108 A 153 'X-RAY DIFFRACTION' ? 5 5 A 112 A 120 ? A 154 A 162 'X-RAY DIFFRACTION' ? 6 6 A 121 A 162 ? A 163 A 204 'X-RAY DIFFRACTION' ? 7 7 A 163 A 181 ? A 205 A 223 'X-RAY DIFFRACTION' ? 8 8 A 182 A 191 ? A 224 A 233 'X-RAY DIFFRACTION' ? 9 9 A 192 A 215 ? A 234 A 257 'X-RAY DIFFRACTION' ? 10 10 A 216 A 223 ? A 258 A 265 'X-RAY DIFFRACTION' ? # 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' zbyszek@mix.swmed.edu 'data reduction' http://www.lnls.br/infra/linhasluz/denzo-hkl.htm ? ? 1 SCALEPACK . ? package 'Zbyszek Otwinowski' zbyszek@mix.swmed.edu 'data scaling' http://www.lnls.br/infra/linhasluz/denzo-hkl.htm ? ? 2 REFMAC 5.3.0037 ? program 'Murshudov, G.N.' ccp4@dl.ac.uk refinement http://www.ccp4.ac.uk/main.html Fortran_77 ? 3 PDB_EXTRACT 3.000 'July 2, 2007' package PDB sw-help@rcsb.rutgers.edu 'data extraction' http://pdb.rutgers.edu/software/ C++ ? 4 HKL-2000 . ? ? ? ? 'data collection' ? ? ? 5 SHARP . ? ? ? ? phasing ? ? ? 6 # 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 OH A TYR 161 ? ? OD2 A ASP 193 ? ? 2.15 2 1 OE2 A GLU 164 ? ? O A HOH 444 ? ? 2.16 3 1 O A HOH 348 ? ? O A HOH 422 ? ? 2.17 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 HOH _pdbx_validate_symm_contact.auth_seq_id_1 278 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 A _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 431 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 4_465 _pdbx_validate_symm_contact.dist 2.11 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 PHE A 67 ? ? GLU A 68 ? ? -147.89 2 1 LEU A 228 ? ? LYS A 229 ? ? -148.58 # 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 43 ? A MET 1 2 1 Y 1 A ALA 266 ? A ALA 224 3 1 Y 1 A ALA 267 ? A ALA 225 4 1 Y 1 A ALA 268 ? A ALA 226 5 1 Y 1 A HIS 269 ? A HIS 227 6 1 Y 1 A HIS 270 ? A HIS 228 7 1 Y 1 A HIS 271 ? A HIS 229 8 1 Y 1 A HIS 272 ? A HIS 230 9 1 Y 1 A HIS 273 ? A HIS 231 10 1 Y 1 A HIS 274 ? A HIS 232 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name water _pdbx_entity_nonpoly.comp_id HOH #