Structure of PDB 2r4f Chain C

Receptor sequence
>2r4fC (length=404) Species: 9606 (Homo sapiens) [Search protein sequence]
PNEECLQILGNGAKFLSDAEIIQLVETLIETHERGVSIRRQLLSKKLSEP
SSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMA
TTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVK
AWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMG
MNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSV
VCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANI
VTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVG
GGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAA
LAAG
3D structure
PDB2r4f 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.
ChainC
Resolution1.7 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) E559 K691 D767
Catalytic site (residue number reindexed from 1) E103 K235 D311
Enzyme Commision number 1.1.1.34: hydroxymethylglutaryl-CoA reductase (NADPH).
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 RIE C R590 S661 V683 S684 D690 K692 R134 S205 V227 S228 D234 K236 MOAD: ic50=1.5nM
BS02 RIE C E559 C561 L562 A564 S565 R568 K735 A751 L853 A856 E103 C105 L106 A108 S109 R112 K279 A295 L397 A400 MOAD: ic50=1.5nM
Gene Ontology
Molecular Function
GO:0004420 hydroxymethylglutaryl-CoA reductase (NADPH) activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0050661 NADP binding
Biological Process
GO:0008299 isoprenoid biosynthetic process
GO:0015936 coenzyme A metabolic process
Cellular Component
GO:0005789 endoplasmic reticulum membrane

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Cellular Component
External links
PDB RCSB:2r4f, PDBe:2r4f, PDBj:2r4f
PDBsum2r4f
PubMed18072721
UniProtP04035|HMDH_HUMAN 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=HMGCR)

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