PDB entry 3sn5

View 3sn5 on RCSB PDB site
Description: Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one
Class: oxidoreductase
Keywords: cytochrome P450, cholesterol 7-alpha hydroxylase, CYP7A1, cholest-4-en-3-one, bile acid biosynthesis, Structural Genomics, Structural Genomics Consortium, SGC, OXIDOREDUCTASE
Deposited on 2011-06-28, released 2011-07-13
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-07-08.
Experiment type: XRAY
Resolution: 2.75 Å
R-factor: 0.184
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cholesterol 7-alpha-monooxygenase
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP7A1, CYP7
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22680 (7-485)
      • expression tag (6)
      • engineered mutation (86)
    Domains in SCOPe 2.06: d3sn5a1, d3sn5a2
  • Chain 'B':
    Compound: Cholesterol 7-alpha-monooxygenase
    Species: Homo sapiens [TaxId:9606]
    Gene: CYP7A1, CYP7
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22680 (7-485)
      • engineered mutation (86)
    Domains in SCOPe 2.06: d3sn5b_
  • Heterogens: HEM, K2B, UNX, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3sn5A (A:)
    makktssrrrqtgepplenglipylgcalqfganpleflranqrkhghvftcklmgkyvh
    fitnplsyhkvlchgkyfdwkkfhfalsakafghrsidpmdgnttenindtfiktlqgha
    lnsltesmmenlqrimrppvssnsktaawvtegmysfcyrvmfeagyltifgrdltrrdt
    qkahilnnldnfkqfdkvfpalvaglpihmfrtahnareklaeslrhenlqkresiseli
    slrmflndtlstfddlekakthlvvlwasqantipatfwslfqmirnpeamkaateevkr
    tlenagqkvslegnpiclsqaelndlpvldsiikeslrlssaslnirtakedftlhledg
    synirkddiialypqlmhldpeiypdpltfkydryldengktkttfycnglklkyyympf
    gsgaticpgrlfaiheikqflilmlsyfeleliegqakcppldqsraglgilpplndief
    kykfkhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3sn5A (A:)
    srrrqtgepplenglipylgcalqfganpleflranqrkhghvftcklmgkyvhfitnpl
    syhkvlchgkyfdwkkfhfalsakafghrsidpmdgnttenindtfiktlqghalnslte
    smmenlqrimrtaawvtegmysfcyrvmfeagyltifgrdltqkahilnnldnfkqfdkv
    fpalvaglpihmfrtahnareklaeslrhenlqkresiselislrmflndtlstfddlek
    akthlvvlwasqantipatfwslfqmirnpeamkaateevkrtlenagqkvslegnpicl
    sqaelndlpvldsiikeslrlssaslnirtakedftlhledgsynirkddiialypqlmh
    ldpeiypdpltfkydryldengktkttfycnglklkyyympfgsgaticpgrlfaiheik
    qflilmlsyfeleliegqakcppldqsraglgilpplndiefkykfkh
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3sn5B (B:)
    makktssrrrqtgepplenglipylgcalqfganpleflranqrkhghvftcklmgkyvh
    fitnplsyhkvlchgkyfdwkkfhfalsakafghrsidpmdgnttenindtfiktlqgha
    lnsltesmmenlqrimrppvssnsktaawvtegmysfcyrvmfeagyltifgrdltrrdt
    qkahilnnldnfkqfdkvfpalvaglpihmfrtahnareklaeslrhenlqkresiseli
    slrmflndtlstfddlekakthlvvlwasqantipatfwslfqmirnpeamkaateevkr
    tlenagqkvslegnpiclsqaelndlpvldsiikeslrlssaslnirtakedftlhledg
    synirkddiialypqlmhldpeiypdpltfkydryldengktkttfycnglklkyyympf
    gsgaticpgrlfaiheikqflilmlsyfeleliegqakcppldqsraglgilpplndief
    kykfkhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3sn5B (B:)
    rrrqtgepplenglipylgcalqfganpleflranqrkhghvftcklmgkyvhfitnpls
    yhkvlchgkyfdwkkfhfalsakafghrsidpmdgnttenindtfiktlqghalnsltes
    mmenlqrimrawvtegmysfcyrvmfeagyltifgrdltrrdtqkahilnnldnfkqfdk
    vfpalvaglpihmfrtahnareklaeslrhenlqkresiselislrmflndtlstfddle
    kakthlvvlwasqantipatfwslfqmirnpeamkaateevkrtlenagqkvslegnpic
    lsqaelndlpvldsiikeslrlssaslnirtakedftlhledgsynirkddiialypqlm
    hldpeiypdpltfkydryldengktkttfycnglklkyyympfgsgaticpgrlfaihei
    kqflilmlsyfeleliakcppldqsraglgilpplndiefkykfkh