PDB entry 2j0c

View 2j0c on RCSB PDB site
Description: crystal structure of human p450 3a4 in complex with ketoconazole
Class: oxidoreductase
Keywords: metal-binding, transmembrane, oxidoreductase, endoplasmic reticulum, drug metabolizing enzyme, ketoconazol, polymorphism, monooxygenase, p450, nadp, iron, heme, cyp3a4, membrane, microsome
Deposited on 2006-08-02, released 2006-09-04
The last revision prior to the SCOPe 2.07 freeze date was dated 2007-06-26, with a file datestamp of 2007-06-28.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: 0.22
AEROSPACI score: 0.25 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cytochrome p450 3a4
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed):
    • PDB 2J0C
      • conflict (369)
    • Uniprot P08684
    Domains in SCOPe 2.07: d2j0ca_
  • Chain 'B':
    Compound: cytochrome p450 3a4
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed):
    • PDB 2J0C
      • conflict (369)
    • Uniprot P08684
    Domains in SCOPe 2.07: d2j0cb_
  • Chain 'C':
    Compound: cytochrome p450 3a4
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed):
    • PDB 2J0C
      • conflict (369)
    • Uniprot P08684
    Domains in SCOPe 2.07: d2j0cc_
  • Chain 'D':
    Compound: cytochrome p450 3a4
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed):
    • PDB 2J0C
      • conflict (369)
    • Uniprot P08684
    Domains in SCOPe 2.07: d2j0cd_
  • Heterogens: KTN, HEM

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2j0cA (A:)
    maygthshglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqpvl
    aitdpdmiktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsgkl
    kemvpiiaqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpqdp
    fventkkllrfdfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesrle
    dtqkhrvdflqlmidsqnsketeshkalsdlelvaqsiififagyettssvlsfimyela
    thpdvqqklqeeidavlpnkapptydtvlqmeyldmvvnetlrlfpiamrlervckkdve
    ingmfipkgvvvmipsyalhrdpkywtepekflperfskknkdnidpyiytpfgsgprnc
    igmrfalmnmklalirvlqnfsfkpcketqiplklslggllqpekpvvlkvesrdgtvsg
    ahhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2j0cA (A:)
    hglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqpvlaitdpdm
    iktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsgklkemvpii
    aqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpqdpfventkk
    llrfdfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesrledvdflql
    midsqalsdlelvaqsiififagyettssvlsfimyelathpdvqqklqeeidavlpnka
    pptydtvlqmeyldmvvnetlrlfpiamrlervckkdveingmfipkgvvvmipsyalhr
    dpkywtepekflperfskknkdnidpyiytpfgsgprncigmrfalmnmklalirvlqnf
    sfkpcketqiplklslggllqpekpvvlkvesrdg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2j0cB (B:)
    maygthshglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqpvl
    aitdpdmiktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsgkl
    kemvpiiaqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpqdp
    fventkkllrfdfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesrle
    dtqkhrvdflqlmidsqnsketeshkalsdlelvaqsiififagyettssvlsfimyela
    thpdvqqklqeeidavlpnkapptydtvlqmeyldmvvnetlrlfpiamrlervckkdve
    ingmfipkgvvvmipsyalhrdpkywtepekflperfskknkdnidpyiytpfgsgprnc
    igmrfalmnmklalirvlqnfsfkpcketqiplklslggllqpekpvvlkvesrdgtvsg
    ahhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2j0cB (B:)
    hglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqpvlaitdpdm
    iktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsgklkemvpii
    aqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpqdpfventkk
    llrfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesrledvdflqlmi
    dsqalsdlelvaqsiififagyettssvlsfimyelathpdvqqklqeeidavlpnkapp
    tydtvlqmeyldmvvnetlrlfpiamrlervckkdveingmfipkgvvvmipsyalhrdp
    kywtepekflperfskknkdnidpyiytpfgsgprncigmrfalmnmklalirvlqnfsf
    kpcketqiplklslggllqpekpvvlkvesr
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2j0cC (C:)
    maygthshglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqpvl
    aitdpdmiktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsgkl
    kemvpiiaqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpqdp
    fventkkllrfdfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesrle
    dtqkhrvdflqlmidsqnsketeshkalsdlelvaqsiififagyettssvlsfimyela
    thpdvqqklqeeidavlpnkapptydtvlqmeyldmvvnetlrlfpiamrlervckkdve
    ingmfipkgvvvmipsyalhrdpkywtepekflperfskknkdnidpyiytpfgsgprnc
    igmrfalmnmklalirvlqnfsfkpcketqiplklslggllqpekpvvlkvesrdgtvsg
    ahhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2j0cC (C:)
    hglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqpvlaitdpdm
    iktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsgklkemvpii
    aqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpqdpfventkk
    lldfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesrledtqkhrvdf
    lqlmidsqnsketeshkalsdlelvaqsiififagyettssvlsfimyelathpdvqqkl
    qeeidavlpnkapptydtvlqmeyldmvvnetlrlfpiamrlervckkdveingmfipkg
    vvvmipsyalhrdpkywtepekflperfskknkdnidpyiytpfgsgprncigmrfalmn
    mklalirvlqnfsfkpcketqiplklslggllqpekpvvlkvesr
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2j0cD (D:)
    maygthshglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqpvl
    aitdpdmiktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsgkl
    kemvpiiaqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpqdp
    fventkkllrfdfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesrle
    dtqkhrvdflqlmidsqnsketeshkalsdlelvaqsiififagyettssvlsfimyela
    thpdvqqklqeeidavlpnkapptydtvlqmeyldmvvnetlrlfpiamrlervckkdve
    ingmfipkgvvvmipsyalhrdpkywtepekflperfskknkdnidpyiytpfgsgprnc
    igmrfalmnmklalirvlqnfsfkpcketqiplklslggllqpekpvvlkvesrdgtvsg
    ahhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2j0cD (D:)
    hglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqpvlaitdpdm
    iktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsgklkemvpii
    aqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpqdpfventkk
    llrfdfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesrledvdflql
    midsqalsdlelvaqsiififagyettssvlsfimyelathpdvqqklqeeidavlpnka
    pptydtvlqmeyldmvvnetlrlfpiamrlervckkdveingmfipkgvvvmipsyalhr
    dpkywtepekflperfskknkdnidpyiytpfgsgprncigmrfalmnmklalirvlqnf
    sfkpcketqiplklslggllqpekpvvlkvesr