Structure of PDB 1hwk Chain B

Receptor sequence
>1hwkB (length=393) Species: 9606 (Homo sapiens) [Search protein sequence]
SDAEIIQLVNAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDY
NYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTN
RGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAV
IKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKA
LSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVV
REVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQD
AAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQAC
LQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG
3D structure
PDB1hwk Structural mechanism for statin inhibition of HMG-CoA reductase.
ChainB
Resolution2.22 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) E92 K224 D300
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 ADP B A564 N567 R568 A97 N100 R101
BS02 ADP B Y479 N529 Y12 N62
BS03 117 B E559 C561 S565 R568 K735 A751 L853 A856 L857 E92 C94 S98 R101 K268 A284 L386 A389 L390 MOAD: ic50=8nM
BindingDB: IC50=6nM,Ki=6.2nM
BS04 ADP B F628 G652 D653 A654 G656 N658 A826 F161 G185 D186 A187 G189 N191 A359
BS05 117 B R590 S661 V683 S684 D690 K692 R123 S194 V216 S217 D223 K225 MOAD: ic50=8nM
BindingDB: IC50=6nM,Ki=6.2nM
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1hwk, PDBe:1hwk, PDBj:1hwk
PDBsum1hwk
PubMed11349148
UniProtP04035|HMDH_HUMAN 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=HMGCR)

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