PDB entry 5wbg

View 5wbg on RCSB PDB site
Description: Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz
Class: oxidoreductase
Keywords: Oxidoreductase
Deposited on 2017-06-29, released 2018-05-02
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-05-02, with a file datestamp of 2018-04-27.
Experiment type: XRAY
Resolution: 2.99 Å
R-factor: N/A
AEROSPACI score: 0.13 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450 2B6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2B6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P20813 (Start-471)
      • engineered mutation (8-9)
      • engineered mutation (206)
      • engineered mutation (242)
    Domains in SCOPe 2.07: d5wbga_
  • Chain 'B':
    Compound: Cytochrome P450 2B6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2B6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P20813 (Start-471)
      • engineered mutation (7-9)
      • engineered mutation (206)
      • engineered mutation (242)
    Domains in SCOPe 2.07: d5wbgb_
  • Chain 'C':
    Compound: Cytochrome P450 2B6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2B6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P20813 (Start-471)
      • engineered mutation (7-9)
      • engineered mutation (206)
      • engineered mutation (242)
    Domains in SCOPe 2.07: d5wbgc_
  • Chain 'D':
    Compound: Cytochrome P450 2B6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2B6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P20813 (Start-471)
      • engineered mutation (7-9)
      • engineered mutation (206)
      • engineered mutation (242)
    Domains in SCOPe 2.07: d5wbgd_
  • Chain 'E':
    Compound: Cytochrome P450 2B6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2B6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P20813 (Start-471)
      • engineered mutation (8-9)
      • engineered mutation (206)
      • engineered mutation (242)
    Domains in SCOPe 2.07: d5wbge_
  • Chain 'F':
    Compound: Cytochrome P450 2B6
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP2B6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P20813 (Start-471)
      • engineered mutation (7-9)
      • engineered mutation (206)
      • engineered mutation (242)
    Domains in SCOPe 2.07: d5wbgf_
  • Heterogens: HEM, 9ZJ, ZAZ, CM5, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5wbgA (A:)
    makktsskgklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlc
    gveairealvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgk
    rsveeriqeeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkml
    nlfyqtfslissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldps
    aprdlidtyllhmekeksnahsefshqnlnlntlslffagtettsttlrygfllmlkyph
    vaervyreieqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrg
    yiipkdtevflilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclge
    giaraelflffttilqnfsmaspvapedidltpqecgvgkipptyqirflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5wbgA (A:)
    gklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlcgveairea
    lvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgkrsveeriq
    eeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkmlnlfyqtfs
    lissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldpsaprdlidt
    yllhmekeksahsefshqnlnlntlslffagtettsttlrygfllmlkyphvaervyrei
    eqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrgyiipkdtev
    flilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclgegiaraelfl
    ffttilqnfsmaspvapedidltpqecgvgkipptyqirflpr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5wbgB (B:)
    makktsskgklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlc
    gveairealvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgk
    rsveeriqeeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkml
    nlfyqtfslissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldps
    aprdlidtyllhmekeksnahsefshqnlnlntlslffagtettsttlrygfllmlkyph
    vaervyreieqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrg
    yiipkdtevflilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclge
    giaraelflffttilqnfsmaspvapedidltpqecgvgkipptyqirflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5wbgB (B:)
    kgklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlcgveaire
    alvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgkrsveeri
    qeeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkmlnlfyqtf
    slissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldpsaprdlid
    tyllhmekeksahsefshqnlnlntlslffagtettsttlrygfllmlkyphvaervyre
    ieqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrgyiipkdte
    vflilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclgegiaraelf
    lffttilqnfsmaspvapedidltpqecgvgkipptyqirflpr
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5wbgC (C:)
    makktsskgklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlc
    gveairealvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgk
    rsveeriqeeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkml
    nlfyqtfslissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldps
    aprdlidtyllhmekeksnahsefshqnlnlntlslffagtettsttlrygfllmlkyph
    vaervyreieqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrg
    yiipkdtevflilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclge
    giaraelflffttilqnfsmaspvapedidltpqecgvgkipptyqirflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5wbgC (C:)
    kgklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlcgveaire
    alvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgkrsveeri
    qeeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkmlnlfyqtf
    slissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldpsaprdlid
    tyllhmekeksahsefshqnlnlntlslffagtettsttlrygfllmlkyphvaervyre
    ieqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrgyiipkdte
    vflilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclgegiaraelf
    lffttilqnfsmaspvapedidltpqecgvgkipptyqirflpr
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5wbgD (D:)
    makktsskgklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlc
    gveairealvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgk
    rsveeriqeeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkml
    nlfyqtfslissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldps
    aprdlidtyllhmekeksnahsefshqnlnlntlslffagtettsttlrygfllmlkyph
    vaervyreieqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrg
    yiipkdtevflilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclge
    giaraelflffttilqnfsmaspvapedidltpqecgvgkipptyqirflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5wbgD (D:)
    kgklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlcgveaire
    alvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgkrsveeri
    qeeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkmlnlfyqtf
    slissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldpsaprdlid
    tyllhmekeksahsefshqnlnlntlslffagtettsttlrygfllmlkyphvaervyre
    ieqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrgyiipkdte
    vflilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclgegiaraelf
    lffttilqnfsmaspvapedidltpqecgvgkipptyqirflpr
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5wbgE (E:)
    makktsskgklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlc
    gveairealvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgk
    rsveeriqeeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkml
    nlfyqtfslissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldps
    aprdlidtyllhmekeksnahsefshqnlnlntlslffagtettsttlrygfllmlkyph
    vaervyreieqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrg
    yiipkdtevflilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclge
    giaraelflffttilqnfsmaspvapedidltpqecgvgkipptyqirflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5wbgE (E:)
    gklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlcgveairea
    lvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgkrsveeriq
    eeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkmlnlfyqtfs
    lissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldpsaprdlidt
    yllhmekeksahsefshqnlnlntlslffagtettsttlrygfllmlkyphvaervyrei
    eqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrgyiipkdtev
    flilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclgegiaraelfl
    ffttilqnfsmaspvapedidltpqecgvgkipptyqirflpr
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5wbgF (F:)
    makktsskgklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlc
    gveairealvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgk
    rsveeriqeeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkml
    nlfyqtfslissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldps
    aprdlidtyllhmekeksnahsefshqnlnlntlslffagtettsttlrygfllmlkyph
    vaervyreieqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrg
    yiipkdtevflilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclge
    giaraelflffttilqnfsmaspvapedidltpqecgvgkipptyqirflprhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5wbgF (F:)
    kgklppgprplpllgnllqmdrrgllksflrfrekygdvftvhlgprpvvmlcgveaire
    alvdkaeafsgrgkiamvdpffrgygvifangnrwkvlrrfsvttmrdfgmgkrsveeri
    qeeaqclieelrkskgalmdptflfqsitaniicsivfgkrfhyqdqeflkmlnlfyqtf
    slissvfgqlfelfsgflkhfpgahrqvyknlqeinayighsvekhretldpsaprdlid
    tyllhmekeksahsefshqnlnlntlslffagtettsttlrygfllmlkyphvaervyre
    ieqvigphrppelhdrakmpyteaviyeiqrfsdllpmgvphivtqhtsfrgyiipkdte
    vflilstalhdphyfekpdafnpdhfldangalkkteafipfslgkriclgegiaraelf
    lffttilqnfsmaspvapedidltpqecgvgkipptyqirflpr