Structure of PDB 1hw9 Chain C

Receptor sequence

>1hw9C (length=389) Species: 9606 (Homo sapiens)

SDAEIIAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSL
VMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCR
AIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEA
FDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKL
HEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVL
KTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQN
VGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQML
GVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG

3D structure

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

Enzymatic activity

• Catalytic site (original residue number in PDB): E559 K691 D767
• Catalytic site (residue number reindexed from 1): E88 K220 D296
• 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	C	Y479 N529	Y8 N58
BS02	SIM	C	R590 V683 S684 D690 K692	R119 V212 S213 D219 K221	MOAD: ic50=11nM
BS03	SIM	C	E559 C561 S565 K735 A751	E88 C90 S94 K264 A280	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)