Detail Information

P450 Protein:

P450 SymbolCYP8B1
Protein NameCytochrome P450 family 8 subfamily B member 1
Uniprot IDC9JFR9
SpeciesHomo sapiens
Txid 9606
P450 Protein Structure
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
Subcellular Location
Protein Sequence GO

Reaction Scheme:

Chemical Conversion C27H44O2 → C27H44O3
Reaction TypeOxidation
Chemical BondCH
TransformationsHydroxylation at an Aliphatic Carbon

(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

CYP8B1

(7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Substrate Information:

Substrate Name (7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Substrate Chemical FormulaC27H44O2
Substrate PubChem CID123743
Substrate SmilesC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C
Substrate Structure

Product Information:

Product Name (7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Product Chemical FormulaC27H44O3
Product PubChem CID3081958
Product CAS Number1254-03-1
Product SmilesC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C
Product Structure

References:

Title: The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes.
PMID: 35944583
Journal: Journal of Biological Chemistry
Year: 2022/9/

Contact zhy1001@alu.uestc.edu.cn or yangzhang@cdutcm.edu.cn
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