Detail Information

P450 Protein:

P450 SymbolCYP3A7
Protein NameCytochrome P450 3A7
Uniprot IDP24462
EC Number1.14.14.1
Gene ID 1551
SpeciesHomo sapiens (Human)
Txid 9606
P450 Protein Structure
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
Subcellular LocationMitochondrion inner membrane; Peripheral membrane protein
Protein Sequence GO

Reaction Scheme:

Chemical Conversion C19H27O5S- + C17H21N4O9P-2 + O2 → C19H27O6S- + C17H18N4O9P-3 + H2O + H+
Reaction TypeOxidation
Chemical BondCH2
RheaID 47220

3Beta-Sulfooxy-Androst-5-En-17-One

+

FMNH2

+

O2

CYP3A7

3Beta-Sulfooxy-16Alpha-Hydroxy-Androst-5-En-17-One

+

FMN

+

H2O

+

H+

Substrate Information:

Substrate Name 3Beta-Sulfooxy-Androst-5-En-17-One
Substrate Chemical FormulaC19H27O5S-
Substrate PubChem CID20057076
Substrate SmilesC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C
Substrate Structure
Substrate Name FMNH2
Substrate Chemical FormulaC17H21N4O9P-2
Substrate PubChem CID44229161
Substrate SmilesCC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O
Substrate Structure
Substrate Name O2
Substrate Chemical FormulaO2
Substrate PubChem CID977
Substrate CAS Number7782-44-7
Substrate SmilesO=O
Substrate Structure

Product Information:

Product Name 3Beta-Sulfooxy-16Alpha-Hydroxy-Androst-5-En-17-One
Product Chemical FormulaC19H27O6S-
Product PubChem CID20848950
Product SmilesC[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)O)C)OS(=O)(=O)[O-]
Product Structure
Product Name FMN
Product Chemical FormulaC17H18N4O9P-3
Product PubChem CID44229199
Product SmilesCC1=CC2=C(C=C1C)N(C3=NC(=NC(=O)C3=N2)[O-])C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O
Product Structure
Product Name H2O
Product Chemical FormulaH2O
Product PubChem CID962
Product CAS Number7732-18-5
Product SmilesO
Product Structure
Product Name H+
Product Chemical FormulaH+
Product PubChem CID1038
Product CAS Number12408-02-5
Product Smiles[H+]
Product Structure

References:

Title: Helices F-G are important for the substrate specificities of CYP3A7.
PMID: 17178770
Journal: Drug metabolism and disposition: the biological fate of chemicals
Year: 2007/3/1
Title: Differential catalytic properties in metabolism of endogenous and exogenous substrates among CYP3A enzymes expressed in COS-7 cells.
PMID: 9555064
Journal: Biochimica et biophysica acta
Year: 1998/5/8

Contact zhy1001@alu.uestc.edu.cn or yangzhang@cdutcm.edu.cn
© Department of Bioinformatics