Brand  (β version)

PDB ID: 4ENH

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Ligands
Code Name Style Show Link
FVX Fluvoxamine PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
Non-standard Residues
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Structure summary

Code : 4ENH   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal Structure of Human Cytochrome P450 CYP46A1 with Fluvoxamine Bound
Release Data : 2012-08-22
Compound :
mol_id molecule chains synonym
1 Cholesterol 24-hydroxylase A CH24H, Cytochrome P450 46A1
ec: 1.14.13.98
fragment: UNP residues 51-500
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: CYP46A1, CYP46
expression_system_strain: DH5ALPHA
expression_system_vector_type: PLASMID
expression_system_plasmid: PUC18
Authors : Stout, C.D., Mast, N., Pikuleva, I.A.
Keywords : enzyme, P450, fluvoxamine, oxidoreductase, endoplasmic reticulum
Exp. method : X-RAY DIFFRACTION ( 2.5000 Å )
Citation :

In Silico and Intuitive Predictions of CYP46A1 Inhibition by Marketed Drugs with Subsequent Enzyme Crystallization in Complex with Fluvoxamine.

Mast, N.,Linger, M.,Clark, M.  et al.
(2012)  Mol.Pharmacol.  82 : 824 - 834

PubMed: 22859721
DOI: 10.1124/mol.112.080424

Reaction

Chain : A
UniProt : Q9Y6A2 (CP46A_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
cholesterol + reduced [NADPH--hemoprotein reductase] + O2 = (24S)-hydroxycholesterol + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) 1.14.14.25 PubMed:10377398, PubMed:14640697, PubMed:18621681, PubMed:25017465
left-to-right UniProtKB:Q9WVK8
cholestanol + reduced [NADPH--hemoprotein reductase] + O2 = (24S)-hydroxycholestanol + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:28190002
left-to-right UniProtKB:Q9WVK8
7-dehydrocholesterol + reduced [NADPH--hemoprotein reductase] + O2 = cholesta-5,7-dien-3beta,24S-diol + oxidized [NADPH-- hemoprotein reductase] + H2O + H(+) - PubMed:25017465
left-to-right ECO:0000305
7-dehydrocholesterol + reduced [NADPH--hemoprotein reductase] + O2 = cholesta-5,7-dien-3beta,25-diol + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:25017465
left-to-right ECO:0000305
desmosterol + reduced [NADPH--hemoprotein reductase] + O2 = (24Z),26-hydroxydesmosterol + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:25017465
left-to-right ECO:0000305
desmosterol + reduced [NADPH--hemoprotein reductase] + O2 = (24S)-25-epoxycholesterol + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:25017465
left-to-right ECO:0000305
4beta-hydroxycholesterol + reduced [NADPH--hemoprotein reductase] + O2 = 4beta,24S-dihydroxycholesterol + oxidized [NADPH-- hemoprotein reductase] + H2O + H(+) - PubMed:12077124
left-to-right ECO:0000305
(24S)-hydroxycholesterol + reduced [NADPH--hemoprotein reductase] + O2 = (24S,25R)-24,26-dihydroxycholesterol + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:14640697
left-to-right ECO:0000305
(24S)-hydroxycholesterol + reduced [NADPH--hemoprotein reductase] + O2 = 24S,25-dihydroxycholesterol + oxidized [NADPH-- hemoprotein reductase] + H2O + H(+) - PubMed:14640697, PubMed:18621681
left-to-right ECO:0000305
7alpha-hydroxycholesterol + reduced [NADPH--hemoprotein reductase] + O2 = (24S)-7alpha-dihydroxycholesterol + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:14640697
left-to-right ECO:0000305
progesterone + reduced [NADPH--hemoprotein reductase] + O2 = 17alpha-hydroxyprogesterone + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:14640697
left-to-right ECO:0000305
testosterone + reduced [NADPH--hemoprotein reductase] + O2 = 16beta,17beta-dihydroxyandrost-4-en-3-one + oxidized [NADPH-- hemoprotein reductase] + H2O + H(+) - PubMed:14640697
left-to-right ECO:0000305
testosterone + reduced [NADPH--hemoprotein reductase] + O2 = 2-hydroxytestosterone + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:14640697
left-to-right ECO:0000305
testosterone + reduced [NADPH--hemoprotein reductase] + O2 = 6beta,17beta-dihydroxyandrost-4-en-3-one + oxidized [NADPH-- hemoprotein reductase] + H2O + H(+) - PubMed:14640697
left-to-right ECO:0000305
Cofactor: Evidence: Note:
heme ECO:0000269 | PubMed:18621681
ECO:0000269 | PubMed:20667828
ECO:0000269 | PubMed:23288837
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