PDB entry 4ny4

View 4ny4 on RCSB PDB site
Description: Crystal structure of CYP3A4 in complex with an inhibitor
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: cytochrome P-450, CYP3A4, inhibitor, structure-based drug design, drug metabolism, monooxygenase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2013-12-10, released 2014-08-13
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-08-13, with a file datestamp of 2014-08-08.
Experiment type: XRAY
Resolution: 2.95 Å
R-factor: 0.25
AEROSPACI score: 0.14 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cytochrome p450 3a4
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP3A3, CYP3A4, CYP3A4 CYP3A3
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ny4a_
  • Heterogens: HEM, 2QH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ny4A (A:)
    aygthshglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqpvla
    itdpdmiktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsgklk
    emvpiiaqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpqdpf
    ventkkllrfdfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesrled
    tqkhrvdflqlmidsqnsketeshkalsdlelvaqsiififagyettssvlsfimyelat
    hpdvqqklqeeidavlpnkapptydtvlqmeyldmvvnetlrlfpiamrlervckkdvei
    ngmfipkgvvvmipsyalhrdpkywtepekflperfskknkdnidpyiytpfgsgprnci
    gmrfalmnmklalirvlqnfsfkpcketqiplklslggllqpekpvvlkvesrdgtvsga
    hhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ny4A (A:)
    hshglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqpvlaitdp
    dmiktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsgklkemvp
    iiaqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpqdpfvent
    kkllrfdfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesrledtqfl
    qlmidsqshkalsdlelvaqsiififagyettssvlsfimyelathpdvqqklqeeidav
    lpnkapptydtvlqmeyldmvvnetlrlfpiamrlervckkdveingmfipkgvvvmips
    yalhrdpkywtepekflperfskknkdnidpyiytpfgsgprncigmrfalmnmklalir
    vlqnfsfkpcketqiplklslggllqpekpvvlkvesrdg