Structure of PDB 1hw9 Chain B

Receptor sequence

>1hw9B (length=398) Species: 9606 (Homo sapiens)

SDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYL
PYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCL
VASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETS
EGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISK
GTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVI
PAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYI
ACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLL
PQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG

3D structure

• PDB: 1hw9 Structural mechanism for statin inhibition of HMG-CoA reductase.
• Chain: B
• Resolution: 2.33 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E559 K691 D767
• Catalytic site (residue number reindexed from 1): E97 K229 D305
• 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	Y479 N529	Y17 N67
BS02	SIM	B	R590 S684 D690 K692	R128 S222 D228 K230	MOAD: ic50=11nM
BS03	ADP	B	A564 N567 R568	A102 N105 R106
BS04	ADP	B	F628 G652 D653 A654 G656 M659	F166 G190 D191 A192 G194 M197
BS05	SIM	B	E559 C561 L562 S565 K735 A751 N755	E97 C99 L100 S103 K273 A289 N293	MOAD: ic50=11nM

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:1hw9, PDBe:1hw9, PDBj:1hw9
• PDBsum: 1hw9
• PubMed: 11349148
• UniProt: P04035|HMDH_HUMAN 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=HMGCR)