Brand  (β version)

PDB ID: 2R4F

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Ligands
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RIE (3r,5r)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1r)-1-phenylethyl]carbamoyl}-1h-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 2R4F   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors
Release Data : 2008-04-29
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  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: HMGCR
expression_system_strain: BL21 STAR
Authors : Pavlovsky, A., Pfefferkorn, J.A., Harris, M.S., Finzel, B.C.
Keywords : OXIDOREDUCTASE, CHOLESTEROL, BIOCYNTHESIS, HMG-COA, NADPH, STATIN, Alternative splicing, Cholesterol biosynthesis, Endoplasmic reticulum, Glycoprotein, Lipid synthesis, Membrane, Peroxisome, Polymorphism, Steroid biosynthesis, Sterol biosynthesis, Transmembrane
Exp. method : X-RAY DIFFRACTION ( 1.7 Å )
Citation :

Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia.

Pfefferkorn, J.A.,Choi, C.,Larsen, S.D.  et al.
(2008)  J.Med.Chem.  51 : 31 - 45

PubMed: 18072721
DOI: 10.1021/jm070849r

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