Brand  (β version)

PDB ID: 4FIA

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Ligands
Code Name Style Show Link
0U9 S-bicalutamide PoSSuM
198 R-bicalutamide PoSSuM
GOL Glycerol PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
Non-standard Residues
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Structure summary

Code : 4FIA   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound
Release Data : 2013-01-09
Compound :
mol_id molecule chains synonym
1 Cholesterol 24-hydroxylase A CH24H, Cytochrome P450 46A1
ec: 1.14.13.98
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: CYP46, CYP46A1
expression_system_strain: DH5ALPHA
expression_system_vector_type: plasmid
expression_system_plasmid: PUC18
Authors : Stout, C.D., Pikuleva, I.A., Mast, N.
Keywords : Cytochrome P450, CYP46A1, bicalutamide complex, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 2.10 Å )
Citation :

Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response.

Mast, N.,Zheng, W.,Stout, C.D.  et al.
(2013)  J.Biol.Chem.  288 : 4613 - 4624

PubMed: 23288837
DOI: 10.1074/jbc.M112.438754

Reaction

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