PDB entry 4i4g

View 4i4g on RCSB PDB site
Description: Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: monooxygenase, cytochrome P450 reductase, cytochrome b5, endoplasmic reticulum, cytochrome P450, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2012-11-27, released 2013-04-24
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-05-22, with a file datestamp of 2013-05-17.
Experiment type: XRAY
Resolution: 2.72 Å
R-factor: 0.207
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cytochrome p450 3a4
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP3A4, CYP3A3
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i4ga_
  • Heterogens: HEM, Z8Z, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4i4gA (A:)
    maylygthshglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqp
    vlaitdpdmiktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsg
    klkemvpiiaqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpq
    dpfventkkllrfdfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesr
    ledtqkhrvdflqlmidsqnsketeshkalsdlelvaqsiififagyettssvlsfimye
    lathpdvqqklqeeidavlpnkapptydtvlqmeyldmvvnetlrlfpiamrlervckkd
    veingmfipkgvvvmipsyalhrdpkywtepekflperfskknkdnidpyiytpfgsgpr
    ncigmrfalmnmklalirvlqnfsfkpcketqiplklslggllqpekpvvlkvesrdgtv
    sgahhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i4gA (A:)
    thshglfkklgipgptplpflgnilsyhkgfcmfdmechkkygkvwgfydgqqpvlaitd
    pdmiktvlvkecysvftnrrpfgpvgfmksaisiaedeewkrlrsllsptftsgklkemv
    piiaqygdvlvrnlrreaetgkpvtlkdvfgaysmdvitstsfgvnidslnnpqdpfven
    tkkllrfdfldpfflsitvfpflipilevlnicvfprevtnflrksvkrmkesrledtrv
    dflqlmidsqnalsdlelvaqsiififagyettssvlsfimyelathpdvqqklqeeida
    vlpnkapptydtvlqmeyldmvvnetlrlfpiamrlervckkdveingmfipkgvvvmip
    syalhrdpkywtepekflperfskknkdnidpyiytpfgsgprncigmrfalmnmklali
    rvlqnfsfkpcketqiplklslggllqpekpvvlkvesr