Brand  (β version)

PDB ID: 3CDB

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Ligands
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9HI (3r,5r)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid PoSSuM
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Structure summary

Code : 3CDB   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Thermodynamic and structure guided design of statin hmg-CoA reductase inhibitors
Release Data : 2008-06-17
Compound :
mol_id molecule chains synonym
1 3-hydroxy-3-methylglutaryl-coenzyme A reductase A,B,C,D HMG-CoA reductase
ec: 1.1.1.34
fragment: CATALYTIC DOMAIN (RESIDUES 441-875)
mutation: M485I
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens Human ESCHERICHIA COLI
gene: HMGCR
expression_system_strain: BL21 STAR
Authors : Pavlovsky, A., Sarver, R.W., Harris, M.S., Finzel, B.C.
Keywords : OXIDOREDUCTASE, CHOLESTEROL BIOSYNTHESIS, HMG-COA, NADPH, STATIN, Alternative splicing, Endoplasmic reticulum, Glycoprotein, Lipid synthesis, Membrane, Peroxisome, Polymorphism, Steroid biosynthesis, Transmembrane
Exp. method : X-RAY DIFFRACTION ( 2.300 Å )
Citation :

Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.

Sarver, R.W.,Bills, E.,Bolton, G.  et al.
(2008)  J.Med.Chem.  51 : 3804 - 3813

PubMed: 18540668
DOI: 10.1021/jm7015057

Reaction

Chain : A, B, C, D
UniProt : P04035 (HMDH_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
(R)-mevalonate + CoA + 2 NADP(+) = (3S)-hydroxy-3- methylglutaryl-CoA + 2 H(+) + 2 NADPH 1.1.1.34 PubMed:21357570, PubMed:2991281, PubMed:36745799, PubMed:6995544
right-to-left PubMed:36745799