PDB entry 6o5y

View 6o5y on RCSB PDB site
Description: Structure of Human Cytochrome P450 1A1 with 5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
Class: oxidoreductase
Keywords: cyp1a1, p450, oxidoreductase, gdc-0339
Deposited on 2019-03-04, released 2019-12-04
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-01-29, with a file datestamp of 2020-01-24.
Experiment type: XRAY
Resolution: 3.17 Å
R-factor: N/A
AEROSPACI score: 0.11 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450 1A1
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP1A1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6o5ya_
  • Chain 'B':
    Compound: Cytochrome P450 1A1
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP1A1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6o5yb_
  • Chain 'C':
    Compound: Cytochrome P450 1A1
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP1A1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6o5yc_
  • Chain 'D':
    Compound: Cytochrome P450 1A1
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP1A1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6o5yd_
  • Heterogens: HEM, KUV, NO3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6o5yA (A:)
    makktsskglknppgpwgwplighmltlgknphlalsrmsqqygdvlqirigstpvvvls
    gldtirqalvrqgddfkgrpdlytftlisngqsmsfspdsgpvwaarrrlaqnglksfsi
    asdpasstscyleehvskeaevlistlqelmagpghfnpyryvvvsvtnvicaicfgrry
    dhnhqellslvnlnnnfgevvgsgnpadfipilrylpnpslnafkdlnekfysfmqkmvk
    ehyktfekghirditdsliehcqekqldenanvqlsdekiinivldlfgagfdtvttais
    wslmylvmnprvqrkiqeeldtvigrsrrprlsdrshlpymeafiletfrhssfvpftip
    hsttrdtslkgfyipkgrcvfvnqwqinhdqklwvnpseflperfltpdgaidkvlsekv
    iifgmgkrkcigetiarwevflflaillqrvefsvplgvkvdmtpiygltmkhaccehfq
    mqlrshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6o5yA (A:)
    glknppgpwgwplighmltlgknphlalsrmsqqygdvlqirigstpvvvlsgldtirqa
    lvrqgddfkgrpdlytftlisngqsmsfspdsgpvwaarrrlaqnglksfsiasdpscyl
    eehvskeaevlistlqelmagpghfnpyryvvvsvtnvicaicfgrrydhnhqellslvn
    lnnnfgevvgsgnpadfipilrylpnpslnafkdlnekfysfmqkmvkehyktfekghir
    ditdsliehcqeqlsdekiinivldlfgagfdtvttaiswslmylvmnprvqrkiqeeld
    tvigrsrrprlsdrshlpymeafiletfrhssfvpftiphsttrdtslkgfyipkgrcvf
    vnqwqinhdqklwvnpseflperfltpdgaidkvlsekviifgmgkrkcigetiarwevf
    lflaillqrvefsvplgvkvdmtpiygltmkhaccehfqmqlrs
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6o5yB (B:)
    makktsskglknppgpwgwplighmltlgknphlalsrmsqqygdvlqirigstpvvvls
    gldtirqalvrqgddfkgrpdlytftlisngqsmsfspdsgpvwaarrrlaqnglksfsi
    asdpasstscyleehvskeaevlistlqelmagpghfnpyryvvvsvtnvicaicfgrry
    dhnhqellslvnlnnnfgevvgsgnpadfipilrylpnpslnafkdlnekfysfmqkmvk
    ehyktfekghirditdsliehcqekqldenanvqlsdekiinivldlfgagfdtvttais
    wslmylvmnprvqrkiqeeldtvigrsrrprlsdrshlpymeafiletfrhssfvpftip
    hsttrdtslkgfyipkgrcvfvnqwqinhdqklwvnpseflperfltpdgaidkvlsekv
    iifgmgkrkcigetiarwevflflaillqrvefsvplgvkvdmtpiygltmkhaccehfq
    mqlrshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6o5yB (B:)
    lknppgpwgwplighmltlgknphlalsrmsqqygdvlqirigstpvvvlsgldtirqal
    vrqgddfkgrpdlytftlisngqsmsfspdsgpvwaarrrlaqnglksfsiasdpyleeh
    vskeaevlistlqelmagpghfnpyryvvvsvtnvicaicfgrrydhnhqellslvnlnn
    nfgevvgsgnpadfipilrylpnpslnafkdlnekfysfmqkmvkehyktfekghirdit
    dsliehcqekqldenanvqlsdekiinivldlfgagfdtvttaiswslmylvmnprvqrk
    iqeeldtvigrsrrprlsdrshlpymeafiletfrhssfvpftiphsttrdtslkgfyip
    kgrcvfvnqwqinhdqklwvnpseflperfltpdgaidkvlsekviifgmgkrkcigeti
    arwevflflaillqrvefsvplgvkvdmtpiygltmkhaccehfqmqlrs
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6o5yC (C:)
    makktsskglknppgpwgwplighmltlgknphlalsrmsqqygdvlqirigstpvvvls
    gldtirqalvrqgddfkgrpdlytftlisngqsmsfspdsgpvwaarrrlaqnglksfsi
    asdpasstscyleehvskeaevlistlqelmagpghfnpyryvvvsvtnvicaicfgrry
    dhnhqellslvnlnnnfgevvgsgnpadfipilrylpnpslnafkdlnekfysfmqkmvk
    ehyktfekghirditdsliehcqekqldenanvqlsdekiinivldlfgagfdtvttais
    wslmylvmnprvqrkiqeeldtvigrsrrprlsdrshlpymeafiletfrhssfvpftip
    hsttrdtslkgfyipkgrcvfvnqwqinhdqklwvnpseflperfltpdgaidkvlsekv
    iifgmgkrkcigetiarwevflflaillqrvefsvplgvkvdmtpiygltmkhaccehfq
    mqlrshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6o5yC (C:)
    glknppgpwgwplighmltlgknphlalsrmsqqygdvlqirigstpvvvlsgldtirqa
    lvrqgddfkgrpdlytftlisngqsmsfspdsgpvwaarrrlaqnglksfsiasdpasst
    scyleehvskeaevlistlqelmagpghfnpyryvvvsvtnvicaicfgrrydhnhqell
    slvnlnnnfgevvgsgnpadfipilrylpnpslnafkdlnekfysfmqkmvkehyktfek
    ghirditdsliehcqeqlsdekiinivldlfgagfdtvttaiswslmylvmnprvqrkiq
    eeldtvigrsrrprlsdrshlpymeafiletfrhssfvpftiphsttrdtslkgfyipkg
    rcvfvnqwqinhdqklwvnpseflperfltpdgaidkvlsekviifgmgkrkcigetiar
    wevflflaillqrvefsvplgvkvdmtpiygltmkhaccehfqmqlrs
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6o5yD (D:)
    makktsskglknppgpwgwplighmltlgknphlalsrmsqqygdvlqirigstpvvvls
    gldtirqalvrqgddfkgrpdlytftlisngqsmsfspdsgpvwaarrrlaqnglksfsi
    asdpasstscyleehvskeaevlistlqelmagpghfnpyryvvvsvtnvicaicfgrry
    dhnhqellslvnlnnnfgevvgsgnpadfipilrylpnpslnafkdlnekfysfmqkmvk
    ehyktfekghirditdsliehcqekqldenanvqlsdekiinivldlfgagfdtvttais
    wslmylvmnprvqrkiqeeldtvigrsrrprlsdrshlpymeafiletfrhssfvpftip
    hsttrdtslkgfyipkgrcvfvnqwqinhdqklwvnpseflperfltpdgaidkvlsekv
    iifgmgkrkcigetiarwevflflaillqrvefsvplgvkvdmtpiygltmkhaccehfq
    mqlrshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6o5yD (D:)
    nppgpwgwplighmltlgknphlalsrmsqqygdvlqirigstpvvvlsgldtirqalvr
    qgddfkgrpdlytftlisngqsmsfspdsgpvwaarrrlaqnglksfsiasdpayleehv
    skeaevlistlqelmagpghfnpyryvvvsvtnvicaicfgrrydhnhqellslvnlnnn
    fgevvgsgnpadfipilrylpnpslnafkdlnekfysfmqkmvkehyktfekghirditd
    sliehcqesdekiinivldlfgagfdtvttaiswslmylvmnprvqrkiqeeldtvigrs
    rrprlsdrshlpymeafiletfrhssfvpftiphsttrdtslkgfyipkgrcvfvnqwqi
    nhdqklwvnpseflperfltpdgaidkvlsekviifgmgkrkcigetiarwevflflail
    lqrvefsvplgvkvdmtpiygltmkhaccehfqmqlrs