Brand  (β version)

PDB ID: 4ENH

Hetero Atom Contents

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
FVX Fluvoxamine PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM

Structure summary

Code : 4ENH
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 : Cholesterol + [reduced NADPH--hemoprotein reductase] + O(2) = (24S)-cholest-5-ene-3-beta,24-diol + [oxidized NADPH--hemoprotein reductase] + H(2)O.