Structure of PDB 1hw8 Chain B

Receptor sequence

>1hw8B (length=410) Species: 9606 (Homo sapiens)

RPNEECLQIKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLS
KKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKE
FQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRAC
DSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSR
SGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIE
GRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYN
AHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSI
EIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGE
LSLMAALAAG

3D structure

• PDB: 1hw8 Structural mechanism for statin inhibition of HMG-CoA reductase.
• Chain: B
• Resolution: 2.1 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E559 K691 D767
• Catalytic site (residue number reindexed from 1): E109 K241 D317
• 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	114	B	E559 S565 K735 A751 N755	E109 S115 K285 A301 N305	MOAD: ic50=23nM
BS02	114	B	R590 S661 S684 D690 K691 K692	R140 S211 S234 D240 K241 K242	MOAD: ic50=23nM
BS03	ADP	B	A564 N567 R568 K722	A114 N117 R118 K272

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:1hw8, PDBe:1hw8, PDBj:1hw8
• PDBsum: 1hw8
• PubMed: 11349148
• UniProt: P04035|HMDH_HUMAN 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=HMGCR)