Structure of PDB 3cd7 Chain A

Receptor sequence
>3cd7A (length=392) Species: 9606 (Homo sapiens) [Search protein sequence]
AKFLSDAEIIQLVNAIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNY
SLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRG
CRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIK
EAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALS
KLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVRE
VLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAA
QNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQ
MLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGH
3D structure
PDB3cd7 Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
ChainA
Resolution2.05 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) E90 K222 D298
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 882 A E559 C561 L562 S565 R568 K735 A751 N755 L853 A856 H861 E90 C92 L93 S96 R99 K266 A282 N286 L384 A387 H392 MOAD: Kd=14.3nM
PDBbind-CN: -logKd/Ki=7.84,Kd=14.3nM
BindingDB: IC50=1.8nM
BS02 882 A R590 S684 D690 K692 R121 S215 D221 K223 MOAD: Kd=14.3nM
PDBbind-CN: -logKd/Ki=7.84,Kd=14.3nM
BindingDB: IC50=1.8nM
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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Biological Process
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Cellular Component
External links
PDB RCSB:3cd7, PDBe:3cd7, PDBj:3cd7
PDBsum3cd7
PubMed18540668
UniProtP04035|HMDH_HUMAN 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=HMGCR)

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