Structure of PDB 1hwi Chain B

Receptor sequence

>1hwiB (length=399) Species: 9606 (Homo sapiens)

LSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQY
LPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGC
LVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLET
SEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMIS
KGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAV
IPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIY
IACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNL
LPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG

3D structure

• PDB: 1hwi Structural mechanism for statin inhibition of HMG-CoA reductase.
• Chain: B
• Resolution: 2.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E559 K691 D767
• Catalytic site (residue number reindexed from 1): E98 K230 D306
• 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	115	B	E559 C561 K735 A751 L853	E98 C100 K274 A290 L392	MOAD: ic50=28nM BindingDB: IC50=28nM
BS02	ADP	B	Y479 N529	Y18 N68
BS03	ADP	B	R627 F628 G652 D653 A826	R166 F167 G191 D192 A365
BS04	115	B	R590 V683 S684 D690 K691 K692	R129 V222 S223 D229 K230 K231	MOAD: ic50=28nM BindingDB: IC50=28nM

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

External links

• PDB: RCSB:1hwi, PDBe:1hwi, PDBj:1hwi
• PDBsum: 1hwi
• PubMed: 11349148
• UniProt: P04035|HMDH_HUMAN 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=HMGCR)