Brand  (β version)

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
HEM Protoporphyrin ix containing Fe
CL6 1-[(2-chlorophenyl)(diphenyl)methyl]-1h-imidazole
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show
Code : 3MDV   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Clotrimazole complex of Cytochrome P450 46A1
Release Data : 2010-07-28
Compound :
mol_id molecule chains synonym
1 Cholesterol 24-hydroxylase A,B 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 : Mast, N., Charvet, C., Pikuleva, I., Stout, C.D.
Keywords : CYP46A1, P450 46A1, P450, CLOTRIMAZOLE, MONOOXYGENASE, METABOLIC ENZYME, OXIDOREDUCTASE, HEME, Cholesterol metabolism, Endoplasmic reticulum, Iron, Lipid metabolism, Membrane, Metal-binding, Microsome, NADP, Steroid metabolism, Transmembrane
Exp. method : X-RAY DIFFRACTION ( 2.400 Å )
Citation :

Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.

Mast, N.,Charvet, C.,Pikuleva, I.A.  et al.
(2010)  J.Biol.Chem.  285 : 31783 - 31795

PubMed: 20667828
DOI: 10.1074/jbc.M110.143313

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

Chain : A, B
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