Brand  (β version)

PDB ID: 2Q9F

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Ligands
Code Name Style Show Link
C3S Cholest-5-en-3-yl hydrogen sulfate PoSSuM
GOL Glycerol PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
PO4 Phosphate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 2Q9F   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of human cytochrome P450 46A1 in complex with cholesterol-3-sulphate
Release Data : 2008-06-17
Compound :
mol_id molecule chains synonym
1 Cytochrome P450 46A1 A Cholesterol 24-hydroxylase, CH24H
ec: 1.14.13.98
fragment: RESIDUES 51-500
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens Human ESCHERICHIA COLI
gene: CYP46A1, CYP46
expression_system_strain: DH5ALPHA
expression_system_vector_type: PLASMID
expression_system_plasmid: PUC18
Authors : White, M.A., Mast, N.V., Johnson, E.F., Stout, C.D., Pikuleva, I.A.
Keywords : CYP46A1, P450 46A1, P450, MONOOXYGENASE, CHOLESTEROL METABOLIC ENZYME, OXIDOREDUCTASE, HEME, cholesterol-3-sulphate
Exp. method : X-RAY DIFFRACTION ( 1.90 Å )
Citation :

Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.

Mast, N.,White, M.A.,Bjorkhem, I.  et al.
(2008)  Proc.Natl.Acad.Sci.Usa  105 : 9546 - 9551

PubMed: 18621681
DOI: 10.1073/pnas.0803717105

Use of complementary cation and anion heavy-atom salt derivatives to solve the structure of cytochrome P450 46A1.

White, M.A.,Mast, N.,Bjorkhem, I.  et al.
(2008)  Acta Crystallogr.,Sect.D  64 : 487 - 495

PubMed: 18453684
DOI: 10.1107/S0907444908004046

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