Structure of PDB 1hwj Chain A

Receptor sequence

>1hwjA (length=410) Species: 9606 (Homo sapiens)

PRPNEECLQILSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSK
KLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEF
QVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACD
SAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRS
GDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEG
RGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNA
HAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIE
IGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGEL
SLMAALAAGH

3D structure

• PDB: 1hwj Structural mechanism for statin inhibition of HMG-CoA reductase.
• Chain: A
• Resolution: 2.26 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E559 K691 D767
• Catalytic site (residue number reindexed from 1): E108 K240 D316
• 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	A	Y479 N529	Y28 N78
BS02	ADP	A	A564 N567 R568 K722	A113 N116 R117 K271
BS03	116	A	R590 V683 S684 D690 K691 K692	R139 V232 S233 D239 K240 K241	MOAD: ic50=10nM
BS04	116	A	E559 C561 K735 A751 L853	E108 C110 K284 A300 L402	MOAD: ic50=10nM

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