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example.cif
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2765 lines (2765 loc) · 175 KB
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data_3ADK
#
_entry.id 3ADK
#
_audit_conform.dict_name mmcif_pdbx.dic
_audit_conform.dict_version 5.279
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
#
loop_
_database_2.database_id
_database_2.database_code
PDB 3ADK
WWPDB D_1000178869
#
_pdbx_database_PDB_obs_spr.id SPRSDE
_pdbx_database_PDB_obs_spr.date 1988-01-16
_pdbx_database_PDB_obs_spr.pdb_id 3ADK
_pdbx_database_PDB_obs_spr.replace_pdb_id 2ADK
_pdbx_database_PDB_obs_spr.details ?
#
_pdbx_database_status.status_code REL
_pdbx_database_status.entry_id 3ADK
_pdbx_database_status.recvd_initial_deposition_date 1987-11-19
_pdbx_database_status.deposit_site ?
_pdbx_database_status.process_site ?
_pdbx_database_status.SG_entry .
_pdbx_database_status.pdb_format_compatible Y
_pdbx_database_status.status_code_mr ?
_pdbx_database_status.status_code_sf ?
_pdbx_database_status.status_code_cs ?
#
_audit_author.name 'Schulz, G.E.'
_audit_author.pdbx_ordinal 1
#
loop_
_citation.id
_citation.title
_citation.journal_abbrev
_citation.journal_volume
_citation.page_first
_citation.page_last
_citation.year
_citation.journal_id_ASTM
_citation.country
_citation.journal_id_ISSN
_citation.journal_id_CSD
_citation.book_publisher
_citation.pdbx_database_id_PubMed
_citation.pdbx_database_id_DOI
primary 'Refined structure of porcine cytosolic adenylate kinase at 2.1 A resolution.' J.Mol.Biol. 199 359 371
1988 JMOBAK UK 0022-2836 0070 ? 2832612
'10.1016/0022-2836(88)90319-1'
1 'Structural Relationships in the Adenylate Kinase Family' Eur.J.Biochem. 161 127 ?
1986 EJBCAI IX 0014-2956 0262 ? ? ?
2 'The Glycine-Rich Loop of Adenylate Kinase Forms a Giant Anion Hole' 'FEBS Lett.' 208 301 ?
1986 FEBLAL NE 0014-5793 0165 ? ? ?
3 'Two Conformations of Crystalline Adenylate Kinase' J.Mol.Biol. 114 23 ?
1977 JMOBAK UK 0022-2836 0070 ? ? ?
4 'Substrate Positions and Induced-Fit in Crystalline Adenylate Kinase' J.Mol.Biol. 114 37 ?
1977 JMOBAK UK 0022-2836 0070 ? ? ?
5 'Three-Dimensional Structure of Adenylate Kinase' Nature 250 120 ? 1974
NATUAS UK 0028-0836 0006 ? ? ?
6 'Topological Comparison of Adenylate Kinase with Other Proteins' Nature 250 142 ? 1974
NATUAS UK 0028-0836 0006 ? ? ?
7 'Comparison of Predicted and Experimentally Determined Secondary Structure of Adenylate Kinase' Nature 250 140 ? 1974
NATUAS UK 0028-0836 0006 ? ? ?
8 'The Amino-Acid Sequence of Porcine Adenylate Kinase from Skeletal Muscle' Eur.J.Biochem. 43 131 ?
1974 EJBCAI IX 0014-2956 0262 ? ? ?
9 'Low Resolution Structure of Adenylate Kinase' J.Mol.Biol. 80 857 ?
1973 JMOBAK UK 0022-2836 0070 ? ? ?
10 ?
'Atlas of Protein Sequence and Structure,Supplement 2' 5 90 ? 1976 ? ? 0-912466-05-7 435
'National Biomedical Research Foundation, Silver Spring,Md.' ? ?
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary 'Dreusicke, D.' 1
primary 'Karplus, P.A.' 2
primary 'Schulz, G.E.' 3
1 'Schulz, G.E.' 4
1 'Schiltz, E.' 5
1 'Tomasselli, A.G.' 6
1 'Frank, R.' 7
1 'Brune, M.' 8
1 'Wittinghofer, A.' 9
1 'Schirmer, R.H.' 10
2 'Dreusicke, D.' 11
2 'Schulz, G.E.' 12
3 'Sachsenheimer, W.' 13
3 'Schulz, G.E.' 14
4 'Pai, E.F.' 15
4 'Sachsenheimer, W.' 16
4 'Schirmer, R.H.' 17
4 'Schulz, G.E.' 18
5 'Schulz, G.E.' 19
5 'Elzinga, M.' 20
5 'Marx, F.' 21
5 'Schirmer, R.H.' 22
6 'Schulz, G.E.' 23
6 'Schirmer, R.H.' 24
7 'Schulz, G.E.' 25
7 'Barry, C.D.' 26
7 'Friedman, J.' 27
7 'Chou, P.Y.' 28
7 'Fasman, G.D.' 29
7 'Finkelstein, A.V.' 30
7 'Lim, V.I.' 31
7 'Ptitsyn, O.B.' 32
7 'Kabat, E.A.' 33
7 'Wu, T.T.' 34
7 'Levitt, M.' 35
7 'Robson, B.' 36
7 'Nagano, K.' 37
8 'Heil, A.' 38
8 'Mueller, G.' 39
8 'Noda, L.' 40
8 'Pinder, T.' 41
8 'Schirmer, H.' 42
8 'Schirmer, I.' 43
8 'Vonzabern, I.' 44
9 'Schulz, G.E.' 45
9 'Biedermann, K.' 46
9 'Kabsch, W.' 47
9 'Schirmer, R.H.' 48
#
_citation_editor.citation_id 10
_citation_editor.name 'Dayhoff, M.O.'
_citation_editor.ordinal 1
#
_cell.entry_id 3ADK
_cell.length_a 48.500
_cell.length_b 48.500
_cell.length_c 141.000
_cell.angle_alpha 90.00
_cell.angle_beta 90.00
_cell.angle_gamma 120.00
_cell.Z_PDB 6
_cell.pdbx_unique_axis ?
#
_symmetry.entry_id 3ADK
_symmetry.space_group_name_H-M 'P 31 2 1'
_symmetry.pdbx_full_space_group_name_H-M ?
_symmetry.cell_setting ?
_symmetry.Int_Tables_number 152
#
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 'ADENYLATE KINASE' 21699.012 1 2.7.4.3 ? ? ?
2 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ?
#
_entity_poly.entity_id 1
_entity_poly.type 'polypeptide(L)'
_entity_poly.nstd_linkage no
_entity_poly.nstd_monomer yes
_entity_poly.pdbx_seq_one_letter_code
;(ACE)MEEKLKKSKIIFVVGGPGSGKGTQCEKIVQKYGYTHLSTGDLLRAEVSSGSARGKMLSEIMEKGQLVPLETVLDM
LRDAMVAKVDTSKGFLIDGYPREVKQGEEFERKIGQPTLLLYVDAGPETMTKRLLKRGETSGRVDDNEETIKKRLETYYK
ATEPVIAFYEKRGIVRKVNAEGSVDDVFSQVCTHLDTLK
;
_entity_poly.pdbx_seq_one_letter_code_can
;XMEEKLKKSKIIFVVGGPGSGKGTQCEKIVQKYGYTHLSTGDLLRAEVSSGSARGKMLSEIMEKGQLVPLETVLDMLRDA
MVAKVDTSKGFLIDGYPREVKQGEEFERKIGQPTLLLYVDAGPETMTKRLLKRGETSGRVDDNEETIKKRLETYYKATEP
VIAFYEKRGIVRKVNAEGSVDDVFSQVCTHLDTLK
;
_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 ACE n
1 2 MET n
1 3 GLU n
1 4 GLU n
1 5 LYS n
1 6 LEU n
1 7 LYS n
1 8 LYS n
1 9 SER n
1 10 LYS n
1 11 ILE n
1 12 ILE n
1 13 PHE n
1 14 VAL n
1 15 VAL n
1 16 GLY n
1 17 GLY n
1 18 PRO n
1 19 GLY n
1 20 SER n
1 21 GLY n
1 22 LYS n
1 23 GLY n
1 24 THR n
1 25 GLN n
1 26 CYS n
1 27 GLU n
1 28 LYS n
1 29 ILE n
1 30 VAL n
1 31 GLN n
1 32 LYS n
1 33 TYR n
1 34 GLY n
1 35 TYR n
1 36 THR n
1 37 HIS n
1 38 LEU n
1 39 SER n
1 40 THR n
1 41 GLY n
1 42 ASP n
1 43 LEU n
1 44 LEU n
1 45 ARG n
1 46 ALA n
1 47 GLU n
1 48 VAL n
1 49 SER n
1 50 SER n
1 51 GLY n
1 52 SER n
1 53 ALA n
1 54 ARG n
1 55 GLY n
1 56 LYS n
1 57 MET n
1 58 LEU n
1 59 SER n
1 60 GLU n
1 61 ILE n
1 62 MET n
1 63 GLU n
1 64 LYS n
1 65 GLY n
1 66 GLN n
1 67 LEU n
1 68 VAL n
1 69 PRO n
1 70 LEU n
1 71 GLU n
1 72 THR n
1 73 VAL n
1 74 LEU n
1 75 ASP n
1 76 MET n
1 77 LEU n
1 78 ARG n
1 79 ASP n
1 80 ALA n
1 81 MET n
1 82 VAL n
1 83 ALA n
1 84 LYS n
1 85 VAL n
1 86 ASP n
1 87 THR n
1 88 SER n
1 89 LYS n
1 90 GLY n
1 91 PHE n
1 92 LEU n
1 93 ILE n
1 94 ASP n
1 95 GLY n
1 96 TYR n
1 97 PRO n
1 98 ARG n
1 99 GLU n
1 100 VAL n
1 101 LYS n
1 102 GLN n
1 103 GLY n
1 104 GLU n
1 105 GLU n
1 106 PHE n
1 107 GLU n
1 108 ARG n
1 109 LYS n
1 110 ILE n
1 111 GLY n
1 112 GLN n
1 113 PRO n
1 114 THR n
1 115 LEU n
1 116 LEU n
1 117 LEU n
1 118 TYR n
1 119 VAL n
1 120 ASP n
1 121 ALA n
1 122 GLY n
1 123 PRO n
1 124 GLU n
1 125 THR n
1 126 MET n
1 127 THR n
1 128 LYS n
1 129 ARG n
1 130 LEU n
1 131 LEU n
1 132 LYS n
1 133 ARG n
1 134 GLY n
1 135 GLU n
1 136 THR n
1 137 SER n
1 138 GLY n
1 139 ARG n
1 140 VAL n
1 141 ASP n
1 142 ASP n
1 143 ASN n
1 144 GLU n
1 145 GLU n
1 146 THR n
1 147 ILE n
1 148 LYS n
1 149 LYS n
1 150 ARG n
1 151 LEU n
1 152 GLU n
1 153 THR n
1 154 TYR n
1 155 TYR n
1 156 LYS n
1 157 ALA n
1 158 THR n
1 159 GLU n
1 160 PRO n
1 161 VAL n
1 162 ILE n
1 163 ALA n
1 164 PHE n
1 165 TYR n
1 166 GLU n
1 167 LYS n
1 168 ARG n
1 169 GLY n
1 170 ILE n
1 171 VAL n
1 172 ARG n
1 173 LYS n
1 174 VAL n
1 175 ASN n
1 176 ALA n
1 177 GLU n
1 178 GLY n
1 179 SER n
1 180 VAL n
1 181 ASP n
1 182 ASP n
1 183 VAL n
1 184 PHE n
1 185 SER n
1 186 GLN n
1 187 VAL n
1 188 CYS n
1 189 THR n
1 190 HIS n
1 191 LEU n
1 192 ASP n
1 193 THR n
1 194 LEU n
1 195 LYS 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 pig
_entity_src_gen.gene_src_genus Sus
_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 'Sus scrofa'
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9823
_entity_src_gen.pdbx_gene_src_variant ?
_entity_src_gen.pdbx_gene_src_cell_line ?
_entity_src_gen.pdbx_gene_src_atcc ?
_entity_src_gen.pdbx_gene_src_organ ?
_entity_src_gen.pdbx_gene_src_organelle ?
_entity_src_gen.pdbx_gene_src_cell ?
_entity_src_gen.pdbx_gene_src_cellular_location ?
_entity_src_gen.host_org_common_name ?
_entity_src_gen.pdbx_host_org_scientific_name ?
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ?
_entity_src_gen.host_org_genus ?
_entity_src_gen.pdbx_host_org_gene ?
_entity_src_gen.pdbx_host_org_organ ?
_entity_src_gen.host_org_species ?
_entity_src_gen.pdbx_host_org_tissue ?
_entity_src_gen.pdbx_host_org_tissue_fraction ?
_entity_src_gen.pdbx_host_org_strain ?
_entity_src_gen.pdbx_host_org_variant ?
_entity_src_gen.pdbx_host_org_cell_line ?
_entity_src_gen.pdbx_host_org_atcc ?
_entity_src_gen.pdbx_host_org_culture_collection ?
_entity_src_gen.pdbx_host_org_cell ?
_entity_src_gen.pdbx_host_org_organelle ?
_entity_src_gen.pdbx_host_org_cellular_location ?
_entity_src_gen.pdbx_host_org_vector_type ?
_entity_src_gen.pdbx_host_org_vector ?
_entity_src_gen.host_org_details ?
_entity_src_gen.expression_system_id ?
_entity_src_gen.plasmid_name ?
_entity_src_gen.plasmid_details ?
_entity_src_gen.pdbx_description ?
#
_struct_ref.id 1
_struct_ref.db_name UNP
_struct_ref.db_code KAD1_PIG
_struct_ref.entity_id 1
_struct_ref.pdbx_db_accession P00571
_struct_ref.pdbx_align_begin 1
_struct_ref.pdbx_seq_one_letter_code
;MEEKLKKSKIIFVVGGPGSGKGTQCEKIVQKYGYTHLSTGDLLRAEVSSGSARGKMLSEIMEKGQLVPLETVLDMLRDAM
VAKVDTSKGFLIDGYPREVKQGEEFERKIGQPTLLLYVDAGPETMTKRLLKRGETSGRVDDNEETIKKRLETYYKATEPV
IAFYEKRGIVRKVNAEGSVDDVFSQVCTHLDTLK
;
_struct_ref.pdbx_db_isoform ?
#
_struct_ref_seq.align_id 1
_struct_ref_seq.ref_id 1
_struct_ref_seq.pdbx_PDB_id_code 3ADK
_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 195
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
_struct_ref_seq.pdbx_db_accession P00571
_struct_ref_seq.db_align_beg 1
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
_struct_ref_seq.db_align_end 194
_struct_ref_seq.pdbx_db_align_end_ins_code ?
_struct_ref_seq.pdbx_auth_seq_align_beg 1
_struct_ref_seq.pdbx_auth_seq_align_end 194
#
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
ACE non-polymer . 'ACETYL GROUP' ? 'C2 H4 O' 44.053
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
ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173
LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173
LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195
MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211
PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189
PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130
SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093
SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063
THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119
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 3ADK
_exptl.method 'X-RAY DIFFRACTION'
_exptl.crystals_number ?
#
_exptl_crystal.id 1
_exptl_crystal.density_meas ?
_exptl_crystal.density_Matthews 2.21
_exptl_crystal.density_percent_sol 44.23
_exptl_crystal.description ?
#
_refine.entry_id 3ADK
_refine.ls_number_reflns_obs ?
_refine.ls_number_reflns_all ?
_refine.pdbx_ls_sigma_I ?
_refine.pdbx_ls_sigma_F ?
_refine.pdbx_data_cutoff_high_absF ?
_refine.pdbx_data_cutoff_low_absF ?
_refine.pdbx_data_cutoff_high_rms_absF ?
_refine.ls_d_res_low 10.0
_refine.ls_d_res_high 2.1
_refine.ls_percent_reflns_obs ?
_refine.ls_R_factor_obs ?
_refine.ls_R_factor_all ?
_refine.ls_R_factor_R_work 0.1930000
_refine.ls_R_factor_R_free ?
_refine.ls_R_factor_R_free_error ?
_refine.ls_R_factor_R_free_error_details ?
_refine.ls_percent_reflns_R_free ?
_refine.ls_number_reflns_R_free ?
_refine.ls_number_parameters ?
_refine.ls_number_restraints ?
_refine.occupancy_min ?
_refine.occupancy_max ?
_refine.B_iso_mean ?
_refine.aniso_B[1][1] ?
_refine.aniso_B[2][2] ?
_refine.aniso_B[3][3] ?
_refine.aniso_B[1][2] ?
_refine.aniso_B[1][3] ?
_refine.aniso_B[2][3] ?
_refine.solvent_model_details ?
_refine.solvent_model_param_ksol ?
_refine.solvent_model_param_bsol ?
_refine.pdbx_ls_cross_valid_method ?
_refine.details ?
_refine.pdbx_starting_model ?
_refine.pdbx_method_to_determine_struct ?
_refine.pdbx_isotropic_thermal_model ?
_refine.pdbx_stereochemistry_target_values ?
_refine.pdbx_stereochem_target_val_spec_case ?
_refine.pdbx_R_Free_selection_details ?
_refine.pdbx_overall_ESU_R ?
_refine.pdbx_overall_ESU_R_Free ?
_refine.overall_SU_ML ?
_refine.overall_SU_B ?
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine.pdbx_diffrn_id 1
_refine.pdbx_TLS_residual_ADP_flag ?
_refine.correlation_coeff_Fo_to_Fc ?
_refine.correlation_coeff_Fo_to_Fc_free ?
_refine.pdbx_solvent_vdw_probe_radii ?
_refine.pdbx_solvent_ion_probe_radii ?
_refine.pdbx_solvent_shrinkage_radii ?
_refine.pdbx_overall_phase_error ?
_refine.overall_SU_R_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_Blow_DPI ?
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
#
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine_hist.cycle_id LAST
_refine_hist.pdbx_number_atoms_protein 1519
_refine_hist.pdbx_number_atoms_nucleic_acid 0
_refine_hist.pdbx_number_atoms_ligand 10
_refine_hist.number_atoms_solvent 0
_refine_hist.number_atoms_total 1529
_refine_hist.d_res_high 2.1
_refine_hist.d_res_low 10.0
#
_struct.entry_id 3ADK
_struct.title 'REFINED STRUCTURE OF PORCINE CYTOSOLIC ADENYLATE KINASE AT 2.1 ANGSTROMS RESOLUTION'
_struct.pdbx_descriptor 'ADENYLATE KINASE (E.C.2.7.4.3)'
_struct.pdbx_model_details ?
_struct.pdbx_CASP_flag ?
_struct.pdbx_model_type_details ?
#
_struct_keywords.entry_id 3ADK
_struct_keywords.pdbx_keywords 'TRANSFERASE(PHOSPHOTRANSFERASE)'
_struct_keywords.text 'TRANSFERASE(PHOSPHOTRANSFERASE)'
#
loop_
_struct_asym.id
_struct_asym.pdbx_blank_PDB_chainid_flag
_struct_asym.pdbx_modified
_struct_asym.entity_id
_struct_asym.details
A N N 1 ?
B N N 2 ?
C N N 2 ?
#
_struct_biol.id 1
#
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 MET A 2 ? LYS A 8 ? MET A 1 LYS A 7 1 ? 7
HELX_P HELX_P2 2 GLY A 21 ? TYR A 33 ? GLY A 20 TYR A 32 1 ? 13
HELX_P HELX_P3 3 THR A 40 ? GLY A 51 ? THR A 39 GLY A 50 1 ? 12
HELX_P HELX_P4 4 SER A 52 ? GLU A 63 ? SER A 51 GLU A 62 1 ? 12
HELX_P HELX_P5 5 PRO A 69 ? ALA A 83 ? PRO A 68 ALA A 82 1 ? 15
HELX_P HELX_P6 6 GLU A 99 ? ILE A 110 ? GLU A 98 ILE A 109 1 ? 12
HELX_P HELX_P7 7 GLY A 122 ? GLY A 138 ? GLY A 121 GLY A 137 1 ? 17
HELX_P HELX_P8 8 THR A 146 ? THR A 158 ? THR A 145 THR A 157 1 ? 13
HELX_P HELX_P9 9 THR A 158 ? GLU A 166 ? THR A 157 GLU A 165 1 ? 9
HELX_P HELX_P10 10 SER A 179 ? THR A 193 ? SER A 178 THR A 192 1 ? 15
#
_struct_conf_type.id HELX_P
_struct_conf_type.criteria ?
_struct_conf_type.reference ?
#
_struct_conn.id covale1
_struct_conn.conn_type_id covale
_struct_conn.pdbx_leaving_atom_flag ?
_struct_conn.pdbx_PDB_id ?
_struct_conn.ptnr1_label_asym_id A
_struct_conn.ptnr1_label_comp_id ACE
_struct_conn.ptnr1_label_seq_id 1
_struct_conn.ptnr1_label_atom_id C
_struct_conn.pdbx_ptnr1_label_alt_id ?
_struct_conn.pdbx_ptnr1_PDB_ins_code ?
_struct_conn.pdbx_ptnr1_standard_comp_id ?
_struct_conn.ptnr1_symmetry 1_555
_struct_conn.ptnr2_label_asym_id A
_struct_conn.ptnr2_label_comp_id MET
_struct_conn.ptnr2_label_seq_id 2
_struct_conn.ptnr2_label_atom_id N
_struct_conn.pdbx_ptnr2_label_alt_id ?
_struct_conn.pdbx_ptnr2_PDB_ins_code ?
_struct_conn.ptnr1_auth_asym_id A
_struct_conn.ptnr1_auth_comp_id ACE
_struct_conn.ptnr1_auth_seq_id 0
_struct_conn.ptnr2_auth_asym_id A
_struct_conn.ptnr2_auth_comp_id MET
_struct_conn.ptnr2_auth_seq_id 1
_struct_conn.ptnr2_symmetry 1_555
_struct_conn.pdbx_ptnr3_label_atom_id ?
_struct_conn.pdbx_ptnr3_label_seq_id ?
_struct_conn.pdbx_ptnr3_label_comp_id ?
_struct_conn.pdbx_ptnr3_label_asym_id ?
_struct_conn.pdbx_ptnr3_label_alt_id ?
_struct_conn.pdbx_ptnr3_PDB_ins_code ?
_struct_conn.details ?
_struct_conn.pdbx_dist_value 1.298
_struct_conn.pdbx_value_order ?
#
_struct_conn_type.id covale
_struct_conn_type.criteria ?
_struct_conn_type.reference ?
#
_struct_mon_prot_cis.pdbx_id 1
_struct_mon_prot_cis.label_comp_id TYR
_struct_mon_prot_cis.label_seq_id 96
_struct_mon_prot_cis.label_asym_id A
_struct_mon_prot_cis.label_alt_id .
_struct_mon_prot_cis.pdbx_PDB_ins_code ?
_struct_mon_prot_cis.auth_comp_id TYR
_struct_mon_prot_cis.auth_seq_id 95
_struct_mon_prot_cis.auth_asym_id A
_struct_mon_prot_cis.pdbx_label_comp_id_2 PRO
_struct_mon_prot_cis.pdbx_label_seq_id_2 97
_struct_mon_prot_cis.pdbx_label_asym_id_2 A
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 ?
_struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO
_struct_mon_prot_cis.pdbx_auth_seq_id_2 96
_struct_mon_prot_cis.pdbx_auth_asym_id_2 A
_struct_mon_prot_cis.pdbx_PDB_model_num 1
_struct_mon_prot_cis.pdbx_omega_angle 4.11
#
_struct_sheet.id A
_struct_sheet.type ?
_struct_sheet.number_strands 5
_struct_sheet.details ?
#
loop_
_struct_sheet_order.sheet_id
_struct_sheet_order.range_id_1
_struct_sheet_order.range_id_2
_struct_sheet_order.offset
_struct_sheet_order.sense
A 1 2 ? parallel
A 2 3 ? parallel
A 3 4 ? parallel
A 4 5 ? parallel
#
loop_
_struct_sheet_range.sheet_id
_struct_sheet_range.id
_struct_sheet_range.beg_label_comp_id
_struct_sheet_range.beg_label_asym_id
_struct_sheet_range.beg_label_seq_id
_struct_sheet_range.pdbx_beg_PDB_ins_code
_struct_sheet_range.end_label_comp_id
_struct_sheet_range.end_label_asym_id
_struct_sheet_range.end_label_seq_id
_struct_sheet_range.pdbx_end_PDB_ins_code
_struct_sheet_range.beg_auth_comp_id
_struct_sheet_range.beg_auth_asym_id
_struct_sheet_range.beg_auth_seq_id
_struct_sheet_range.end_auth_comp_id
_struct_sheet_range.end_auth_asym_id
_struct_sheet_range.end_auth_seq_id
A 1 THR A 36 ? SER A 39 ? THR A 35 SER A 38
A 2 PHE A 91 ? ASP A 94 ? PHE A 90 ASP A 93
A 3 ILE A 11 ? GLY A 16 ? ILE A 10 GLY A 15
A 4 LEU A 115 ? ASP A 120 ? LEU A 114 ASP A 119
A 5 VAL A 171 ? ASN A 175 ? VAL A 170 ASN A 174
#
loop_
_pdbx_struct_sheet_hbond.sheet_id
_pdbx_struct_sheet_hbond.range_id_1
_pdbx_struct_sheet_hbond.range_id_2
_pdbx_struct_sheet_hbond.range_1_label_atom_id
_pdbx_struct_sheet_hbond.range_1_label_comp_id
_pdbx_struct_sheet_hbond.range_1_label_asym_id
_pdbx_struct_sheet_hbond.range_1_label_seq_id
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code
_pdbx_struct_sheet_hbond.range_1_auth_atom_id
_pdbx_struct_sheet_hbond.range_1_auth_comp_id
_pdbx_struct_sheet_hbond.range_1_auth_asym_id
_pdbx_struct_sheet_hbond.range_1_auth_seq_id
_pdbx_struct_sheet_hbond.range_2_label_atom_id
_pdbx_struct_sheet_hbond.range_2_label_comp_id
_pdbx_struct_sheet_hbond.range_2_label_asym_id
_pdbx_struct_sheet_hbond.range_2_label_seq_id
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code
_pdbx_struct_sheet_hbond.range_2_auth_atom_id
_pdbx_struct_sheet_hbond.range_2_auth_comp_id
_pdbx_struct_sheet_hbond.range_2_auth_asym_id
_pdbx_struct_sheet_hbond.range_2_auth_seq_id
A 1 2 O THR A 36 ? O THR A 35 N LEU A 92 ? N LEU A 91
A 2 3 N ILE A 93 ? N ILE A 92 O ILE A 12 ? O ILE A 11
A 3 4 N PHE A 13 ? N PHE A 12 O LEU A 115 ? O LEU A 114
A 4 5 O LEU A 116 ? O LEU A 115 N ARG A 172 ? N ARG A 171
#
loop_
_struct_site.id
_struct_site.pdbx_evidence_code
_struct_site.pdbx_auth_asym_id
_struct_site.pdbx_auth_comp_id
_struct_site.pdbx_auth_seq_id
_struct_site.pdbx_auth_ins_code
_struct_site.pdbx_num_residues
_struct_site.details
AC1 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE SO4 A 195'
AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 196'
#
loop_
_struct_site_gen.id
_struct_site_gen.site_id
_struct_site_gen.pdbx_num_res
_struct_site_gen.label_comp_id
_struct_site_gen.label_asym_id
_struct_site_gen.label_seq_id
_struct_site_gen.pdbx_auth_ins_code
_struct_site_gen.auth_comp_id
_struct_site_gen.auth_asym_id
_struct_site_gen.auth_seq_id
_struct_site_gen.label_atom_id
_struct_site_gen.label_alt_id
_struct_site_gen.symmetry
_struct_site_gen.details
1 AC1 7 GLY A 17 ? GLY A 16 . ? 1_555 ?
2 AC1 7 GLY A 19 ? GLY A 18 . ? 1_555 ?
3 AC1 7 SER A 20 ? SER A 19 . ? 1_555 ?
4 AC1 7 GLY A 21 ? GLY A 20 . ? 1_555 ?
5 AC1 7 LYS A 22 ? LYS A 21 . ? 1_555 ?
6 AC1 7 GLY A 23 ? GLY A 22 . ? 1_555 ?
7 AC1 7 ARG A 133 ? ARG A 132 . ? 1_555 ?
8 AC2 6 LYS A 64 ? LYS A 63 . ? 6_555 ?
9 AC2 6 GLN A 66 ? GLN A 65 . ? 6_555 ?
10 AC2 6 LEU A 130 ? LEU A 129 . ? 1_555 ?
11 AC2 6 ARG A 133 ? ARG A 132 . ? 1_555 ?
12 AC2 6 ARG A 139 ? ARG A 138 . ? 1_555 ?
13 AC2 6 ARG A 150 ? ARG A 149 . ? 1_555 ?
#
_database_PDB_matrix.entry_id 3ADK
_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 3ADK
_atom_sites.fract_transf_matrix[1][1] 0.020619
_atom_sites.fract_transf_matrix[1][2] 0.011904
_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] 0.023808
_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] 0.007092
_atom_sites.fract_transf_vector[1] 0.00000
_atom_sites.fract_transf_vector[2] 0.00000
_atom_sites.fract_transf_vector[3] 0.00000
#
_atom_sites_footnote.id 1
_atom_sites_footnote.text 'RESIDUE 96 IS A CIS PROLINE.'
#
loop_
_atom_type.symbol
C
N
O
S
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.pdbx_formal_charge
_atom_site.auth_seq_id
_atom_site.auth_comp_id
_atom_site.auth_asym_id
_atom_site.auth_atom_id
_atom_site.pdbx_PDB_model_num
HETATM 1 C C . ACE A 1 1 ? -10.316 -5.411 -8.415 1.00 10.65 ? 0 ACE A C 1
HETATM 2 O O . ACE A 1 1 ? -11.485 -5.495 -8.095 1.00 14.48 ? 0 ACE A O 1
HETATM 3 C CH3 . ACE A 1 1 ? -9.859 -5.501 -9.867 1.00 5.88 ? 0 ACE A CH3 1
ATOM 4 N N . MET A 1 2 ? -9.363 -5.231 -7.552 1.00 17.42 ? 1 MET A N 1
ATOM 5 C CA . MET A 1 2 ? -9.526 -5.263 -6.119 1.00 19.10 ? 1 MET A CA 1
ATOM 6 C C . MET A 1 2 ? -10.074 -3.947 -5.496 1.00 28.46 ? 1 MET A C 1
ATOM 7 O O . MET A 1 2 ? -10.538 -3.908 -4.329 1.00 28.58 ? 1 MET A O 1
ATOM 8 C CB . MET A 1 2 ? -8.158 -5.679 -5.536 1.00 13.57 ? 1 MET A CB 1
ATOM 9 C CG . MET A 1 2 ? -8.308 -6.081 -4.083 1.00 12.10 ? 1 MET A CG 1
ATOM 10 S SD . MET A 1 2 ? -8.915 -7.729 -3.918 1.00 20.80 ? 1 MET A SD 1
ATOM 11 C CE . MET A 1 2 ? -10.619 -7.319 -4.058 1.00 25.50 ? 1 MET A CE 1
ATOM 12 N N . GLU A 1 3 ? -9.909 -2.818 -6.241 1.00 32.57 ? 2 GLU A N 1
ATOM 13 C CA . GLU A 1 3 ? -10.478 -1.552 -5.780 1.00 26.73 ? 2 GLU A CA 1
ATOM 14 C C . GLU A 1 3 ? -11.973 -1.702 -5.685 1.00 22.22 ? 2 GLU A C 1
ATOM 15 O O . GLU A 1 3 ? -12.534 -1.456 -4.616 1.00 27.78 ? 2 GLU A O 1
ATOM 16 C CB . GLU A 1 3 ? -10.068 -0.231 -6.524 1.00 23.27 ? 2 GLU A CB 1
ATOM 17 C CG . GLU A 1 3 ? -8.628 -0.195 -7.102 1.00 29.20 ? 2 GLU A CG 1
ATOM 18 C CD . GLU A 1 3 ? -7.682 0.949 -6.648 1.00 27.48 ? 2 GLU A CD 1
ATOM 19 O OE1 . GLU A 1 3 ? -7.412 1.864 -7.350 1.00 19.17 ? 2 GLU A OE1 1
ATOM 20 O OE2 . GLU A 1 3 ? -7.060 0.778 -5.486 1.00 33.27 ? 2 GLU A OE2 1
ATOM 21 N N . GLU A 1 4 ? -12.563 -2.191 -6.812 1.00 16.85 ? 3 GLU A N 1
ATOM 22 C CA . GLU A 1 4 ? -13.987 -2.371 -7.032 1.00 23.29 ? 3 GLU A CA 1
ATOM 23 C C . GLU A 1 4 ? -14.566 -3.584 -6.334 1.00 23.47 ? 3 GLU A C 1
ATOM 24 O O . GLU A 1 4 ? -15.699 -3.545 -5.842 1.00 24.13 ? 3 GLU A O 1
ATOM 25 C CB . GLU A 1 4 ? -14.454 -2.340 -8.521 1.00 31.60 ? 3 GLU A CB 1
ATOM 26 C CG . GLU A 1 4 ? -14.011 -1.154 -9.403 1.00 33.73 ? 3 GLU A CG 1
ATOM 27 C CD . GLU A 1 4 ? -14.369 0.212 -8.901 1.00 31.47 ? 3 GLU A CD 1
ATOM 28 O OE1 . GLU A 1 4 ? -15.515 0.657 -9.017 1.00 41.30 ? 3 GLU A OE1 1
ATOM 29 O OE2 . GLU A 1 4 ? -13.296 0.905 -8.485 1.00 24.58 ? 3 GLU A OE2 1
ATOM 30 N N . LYS A 1 5 ? -13.829 -4.664 -6.301 1.00 11.17 ? 4 LYS A N 1
ATOM 31 C CA . LYS A 1 5 ? -14.318 -5.752 -5.615 1.00 6.63 ? 4 LYS A CA 1
ATOM 32 C C . LYS A 1 5 ? -14.550 -5.396 -4.165 1.00 13.20 ? 4 LYS A C 1
ATOM 33 O O . LYS A 1 5 ? -15.385 -6.020 -3.519 1.00 16.79 ? 4 LYS A O 1
ATOM 34 C CB . LYS A 1 5 ? -13.203 -6.752 -5.620 1.00 19.14 ? 4 LYS A CB 1
ATOM 35 C CG . LYS A 1 5 ? -13.660 -8.189 -5.608 1.00 24.06 ? 4 LYS A CG 1
ATOM 36 C CD . LYS A 1 5 ? -12.550 -9.137 -5.970 1.00 21.17 ? 4 LYS A CD 1
ATOM 37 C CE . LYS A 1 5 ? -12.159 -9.073 -7.438 1.00 31.02 ? 4 LYS A CE 1
ATOM 38 N NZ . LYS A 1 5 ? -10.731 -9.418 -7.666 1.00 39.26 ? 4 LYS A NZ 1
ATOM 39 N N . LEU A 1 6 ? -13.703 -4.497 -3.622 1.00 9.82 ? 5 LEU A N 1
ATOM 40 C CA . LEU A 1 6 ? -13.861 -4.027 -2.219 1.00 20.10 ? 5 LEU A CA 1
ATOM 41 C C . LEU A 1 6 ? -15.047 -3.043 -2.033 1.00 23.73 ? 5 LEU A C 1
ATOM 42 O O . LEU A 1 6 ? -15.874 -3.183 -1.110 1.00 20.07 ? 5 LEU A O 1
ATOM 43 C CB . LEU A 1 6 ? -12.560 -3.429 -1.590 1.00 14.79 ? 5 LEU A CB 1
ATOM 44 C CG . LEU A 1 6 ? -11.401 -4.403 -1.378 1.00 5.00 ? 5 LEU A CG 1
ATOM 45 C CD1 . LEU A 1 6 ? -10.089 -3.632 -1.180 1.00 5.00 ? 5 LEU A CD1 1
ATOM 46 C CD2 . LEU A 1 6 ? -11.706 -5.392 -0.192 1.00 5.00 ? 5 LEU A CD2 1
ATOM 47 N N . LYS A 1 7 ? -15.154 -2.097 -2.996 1.00 21.90 ? 6 LYS A N 1
ATOM 48 C CA . LYS A 1 7 ? -16.103 -1.040 -2.947 1.00 13.87 ? 6 LYS A CA 1
ATOM 49 C C . LYS A 1 7 ? -17.453 -1.650 -2.999 1.00 27.14 ? 6 LYS A C 1
ATOM 50 O O . LYS A 1 7 ? -18.410 -1.087 -2.504 1.00 39.04 ? 6 LYS A O 1
ATOM 51 C CB . LYS A 1 7 ? -16.003 -0.096 -4.112 1.00 21.54 ? 6 LYS A CB 1
ATOM 52 C CG . LYS A 1 7 ? -14.899 0.940 -4.183 1.00 29.80 ? 6 LYS A CG 1
ATOM 53 C CD . LYS A 1 7 ? -15.249 1.965 -5.276 1.00 44.39 ? 6 LYS A CD 1
ATOM 54 C CE . LYS A 1 7 ? -14.289 3.156 -5.424 1.00 53.05 ? 6 LYS A CE 1
ATOM 55 N NZ . LYS A 1 7 ? -14.069 3.947 -4.182 1.00 55.96 ? 6 LYS A NZ 1
ATOM 56 N N . LYS A 1 8 ? -17.565 -2.835 -3.567 1.00 31.72 ? 7 LYS A N 1
ATOM 57 C CA . LYS A 1 8 ? -18.895 -3.423 -3.643 1.00 30.00 ? 7 LYS A CA 1
ATOM 58 C C . LYS A 1 8 ? -19.183 -4.429 -2.554 1.00 22.50 ? 7 LYS A C 1
ATOM 59 O O . LYS A 1 8 ? -20.185 -5.165 -2.534 1.00 27.70 ? 7 LYS A O 1
ATOM 60 C CB . LYS A 1 8 ? -19.176 -3.958 -5.006 1.00 31.29 ? 7 LYS A CB 1
ATOM 61 C CG . LYS A 1 8 ? -18.952 -5.436 -5.168 1.00 39.18 ? 7 LYS A CG 1
ATOM 62 C CD . LYS A 1 8 ? -19.484 -5.830 -6.545 1.00 47.36 ? 7 LYS A CD 1
ATOM 63 C CE . LYS A 1 8 ? -19.627 -7.336 -6.716 1.00 53.83 ? 7 LYS A CE 1
ATOM 64 N NZ . LYS A 1 8 ? -21.030 -7.809 -6.747 1.00 55.79 ? 7 LYS A NZ 1
ATOM 65 N N . SER A 1 9 ? -18.289 -4.461 -1.658 1.00 17.44 ? 8 SER A N 1
ATOM 66 C CA . SER A 1 9 ? -18.366 -5.409 -0.602 1.00 22.13 ? 8 SER A CA 1
ATOM 67 C C . SER A 1 9 ? -19.279 -4.827 0.409 1.00 26.39 ? 8 SER A C 1
ATOM 68 O O . SER A 1 9 ? -19.403 -3.595 0.615 1.00 28.65 ? 8 SER A O 1
ATOM 69 C CB . SER A 1 9 ? -16.993 -5.703 0.008 1.00 22.03 ? 8 SER A CB 1
ATOM 70 O OG . SER A 1 9 ? -16.533 -6.988 -0.376 1.00 30.69 ? 8 SER A OG 1
ATOM 71 N N . LYS A 1 10 ? -19.876 -5.682 1.100 1.00 23.66 ? 9 LYS A N 1
ATOM 72 C CA . LYS A 1 10 ? -20.762 -5.213 2.064 1.00 23.82 ? 9 LYS A CA 1
ATOM 73 C C . LYS A 1 10 ? -20.016 -5.024 3.363 1.00 23.41 ? 9 LYS A C 1
ATOM 74 O O . LYS A 1 10 ? -19.438 -6.009 3.952 1.00 16.43 ? 9 LYS A O 1
ATOM 75 C CB . LYS A 1 10 ? -21.927 -6.143 2.067 1.00 19.97 ? 9 LYS A CB 1
ATOM 76 C CG . LYS A 1 10 ? -22.292 -6.666 3.367 1.00 22.40 ? 9 LYS A CG 1
ATOM 77 C CD . LYS A 1 10 ? -23.790 -6.675 3.377 1.00 30.13 ? 9 LYS A CD 1
ATOM 78 C CE . LYS A 1 10 ? -24.441 -7.400 2.200 1.00 33.49 ? 9 LYS A CE 1
ATOM 79 N NZ . LYS A 1 10 ? -25.673 -8.116 2.647 1.00 36.32 ? 9 LYS A NZ 1
ATOM 80 N N . ILE A 1 11 ? -19.937 -3.695 3.660 1.00 25.88 ? 10 ILE A N 1
ATOM 81 C CA . ILE A 1 11 ? -19.284 -3.091 4.843 1.00 26.45 ? 10 ILE A CA 1
ATOM 82 C C . ILE A 1 11 ? -20.244 -2.386 5.836 1.00 18.40 ? 10 ILE A C 1
ATOM 83 O O . ILE A 1 11 ? -21.006 -1.567 5.486 1.00 18.92 ? 10 ILE A O 1
ATOM 84 C CB . ILE A 1 11 ? -18.064 -2.216 4.495 1.00 24.79 ? 10 ILE A CB 1
ATOM 85 C CG1 . ILE A 1 11 ? -17.262 -2.830 3.371 1.00 20.32 ? 10 ILE A CG1 1
ATOM 86 C CG2 . ILE A 1 11 ? -17.150 -1.990 5.681 1.00 21.86 ? 10 ILE A CG2 1
ATOM 87 C CD1 . ILE A 1 11 ? -16.615 -1.744 2.510 1.00 25.42 ? 10 ILE A CD1 1
ATOM 88 N N . ILE A 1 12 ? -20.179 -2.812 7.095 1.00 17.82 ? 11 ILE A N 1
ATOM 89 C CA . ILE A 1 12 ? -21.018 -2.422 8.230 1.00 16.85 ? 11 ILE A CA 1
ATOM 90 C C . ILE A 1 12 ? -20.131 -1.970 9.347 1.00 18.47 ? 11 ILE A C 1
ATOM 91 O O . ILE A 1 12 ? -19.396 -2.771 9.956 1.00 17.85 ? 11 ILE A O 1
ATOM 92 C CB . ILE A 1 12 ? -21.811 -3.639 8.813 1.00 14.64 ? 11 ILE A CB 1
ATOM 93 C CG1 . ILE A 1 12 ? -22.538 -4.466 7.779 1.00 12.03 ? 11 ILE A CG1 1
ATOM 94 C CG2 . ILE A 1 12 ? -22.638 -3.380 10.117 1.00 9.71 ? 11 ILE A CG2 1
ATOM 95 C CD1 . ILE A 1 12 ? -22.893 -5.767 8.471 1.00 17.39 ? 11 ILE A CD1 1
ATOM 96 N N . PHE A 1 13 ? -20.281 -0.738 9.722 1.00 20.56 ? 12 PHE A N 1
ATOM 97 C CA . PHE A 1 13 ? -19.555 -0.314 10.851 1.00 15.68 ? 12 PHE A CA 1
ATOM 98 C C . PHE A 1 13 ? -20.456 -0.477 12.070 1.00 21.28 ? 12 PHE A C 1
ATOM 99 O O . PHE A 1 13 ? -21.680 -0.298 11.984 1.00 26.99 ? 12 PHE A O 1
ATOM 100 C CB . PHE A 1 13 ? -19.056 1.144 10.765 1.00 19.13 ? 12 PHE A CB 1
ATOM 101 C CG . PHE A 1 13 ? -17.981 1.506 9.746 1.00 17.28 ? 12 PHE A CG 1
ATOM 102 C CD1 . PHE A 1 13 ? -16.981 0.643 9.312 1.00 14.18 ? 12 PHE A CD1 1
ATOM 103 C CD2 . PHE A 1 13 ? -17.960 2.794 9.227 1.00 11.99 ? 12 PHE A CD2 1
ATOM 104 C CE1 . PHE A 1 13 ? -16.080 1.049 8.313 1.00 20.31 ? 12 PHE A CE1 1
ATOM 105 C CE2 . PHE A 1 13 ? -16.999 3.229 8.302 1.00 15.39 ? 12 PHE A CE2 1
ATOM 106 C CZ . PHE A 1 13 ? -16.073 2.343 7.779 1.00 12.49 ? 12 PHE A CZ 1
ATOM 107 N N . VAL A 1 14 ? -19.853 -0.993 13.154 1.00 22.27 ? 13 VAL A N 1
ATOM 108 C CA . VAL A 1 14 ? -20.530 -1.266 14.381 1.00 15.25 ? 13 VAL A CA 1
ATOM 109 C C . VAL A 1 14 ? -19.957 -0.392 15.346 1.00 18.22 ? 13 VAL A C 1
ATOM 110 O O . VAL A 1 14 ? -18.848 -0.730 15.698 1.00 22.88 ? 13 VAL A O 1
ATOM 111 C CB . VAL A 1 14 ? -20.180 -2.615 14.942 1.00 5.00 ? 13 VAL A CB 1
ATOM 112 C CG1 . VAL A 1 14 ? -21.060 -2.841 16.190 1.00 7.18 ? 13 VAL A CG1 1
ATOM 113 C CG2 . VAL A 1 14 ? -20.554 -3.663 13.914 1.00 10.61 ? 13 VAL A CG2 1
ATOM 114 N N . VAL A 1 15 ? -20.619 0.732 15.667 1.00 20.25 ? 14 VAL A N 1
ATOM 115 C CA . VAL A 1 15 ? -20.070 1.650 16.579 1.00 22.59 ? 14 VAL A CA 1
ATOM 116 C C . VAL A 1 15 ? -20.925 1.836 17.845 1.00 20.47 ? 14 VAL A C 1
ATOM 117 O O . VAL A 1 15 ? -22.114 1.980 17.763 1.00 22.05 ? 14 VAL A O 1
ATOM 118 C CB . VAL A 1 15 ? -19.775 2.975 15.902 1.00 27.93 ? 14 VAL A CB 1
ATOM 119 C CG1 . VAL A 1 15 ? -19.555 2.818 14.365 1.00 19.99 ? 14 VAL A CG1 1
ATOM 120 C CG2 . VAL A 1 15 ? -20.974 3.858 16.185 1.00 36.74 ? 14 VAL A CG2 1
ATOM 121 N N . GLY A 1 16 ? -20.275 1.929 19.017 1.00 14.11 ? 15 GLY A N 1
ATOM 122 C CA . GLY A 1 16 ? -20.986 2.103 20.277 1.00 16.43 ? 15 GLY A CA 1
ATOM 123 C C . GLY A 1 16 ? -20.000 2.174 21.408 1.00 13.26 ? 15 GLY A C 1
ATOM 124 O O . GLY A 1 16 ? -18.854 1.831 21.256 1.00 22.16 ? 15 GLY A O 1
ATOM 125 N N . GLY A 1 17 ? -20.417 2.615 22.561 1.00 10.96 ? 16 GLY A N 1
ATOM 126 C CA . GLY A 1 17 ? -19.483 2.835 23.661 1.00 6.57 ? 16 GLY A CA 1
ATOM 127 C C . GLY A 1 17 ? -18.811 1.595 24.213 1.00 17.83 ? 16 GLY A C 1
ATOM 128 O O . GLY A 1 17 ? -19.287 0.512 24.039 1.00 30.36 ? 16 GLY A O 1
ATOM 129 N N . PRO A 1 18 ? -17.683 1.762 24.906 1.00 17.98 ? 17 PRO A N 1
ATOM 130 C CA . PRO A 1 18 ? -17.027 0.622 25.511 1.00 15.05 ? 17 PRO A CA 1
ATOM 131 C C . PRO A 1 18 ? -17.930 0.036 26.556 1.00 17.61 ? 17 PRO A C 1
ATOM 132 O O . PRO A 1 18 ? -18.487 0.783 27.355 1.00 25.87 ? 17 PRO A O 1
ATOM 133 C CB . PRO A 1 18 ? -15.793 1.200 26.182 1.00 18.31 ? 17 PRO A CB 1
ATOM 134 C CG . PRO A 1 18 ? -16.007 2.694 26.306 1.00 21.51 ? 17 PRO A CG 1
ATOM 135 C CD . PRO A 1 18 ? -17.077 3.080 25.305 1.00 15.99 ? 17 PRO A CD 1
ATOM 136 N N . GLY A 1 19 ? -18.174 -1.267 26.528 1.00 16.97 ? 18 GLY A N 1
ATOM 137 C CA . GLY A 1 19 ? -19.201 -1.867 27.450 1.00 20.02 ? 18 GLY A CA 1
ATOM 138 C C . GLY A 1 19 ? -20.701 -1.820 26.913 1.00 21.16 ? 18 GLY A C 1
ATOM 139 O O . GLY A 1 19 ? -21.634 -2.279 27.557 1.00 19.07 ? 18 GLY A O 1
ATOM 140 N N . SER A 1 20 ? -20.960 -1.280 25.697 1.00 18.23 ? 19 SER A N 1
ATOM 141 C CA . SER A 1 20 ? -22.298 -1.350 25.166 1.00 13.50 ? 19 SER A CA 1
ATOM 142 C C . SER A 1 20 ? -22.704 -2.766 24.651 1.00 15.91 ? 19 SER A C 1
ATOM 143 O O . SER A 1 20 ? -23.879 -3.055 24.293 1.00 15.73 ? 19 SER A O 1
ATOM 144 C CB . SER A 1 20 ? -22.542 -0.286 24.159 1.00 21.27 ? 19 SER A CB 1
ATOM 145 O OG . SER A 1 20 ? -21.753 -0.502 23.044 1.00 22.65 ? 19 SER A OG 1
ATOM 146 N N . GLY A 1 21 ? -21.740 -3.666 24.496 1.00 15.11 ? 20 GLY A N 1
ATOM 147 C CA . GLY A 1 21 ? -22.111 -5.022 24.135 1.00 16.07 ? 20 GLY A CA 1
ATOM 148 C C . GLY A 1 21 ? -22.052 -5.308 22.670 1.00 18.42 ? 20 GLY A C 1
ATOM 149 O O . GLY A 1 21 ? -22.633 -6.248 22.246 1.00 18.70 ? 20 GLY A O 1
ATOM 150 N N . LYS A 1 22 ? -21.172 -4.595 22.010 1.00 17.82 ? 21 LYS A N 1