Structure of PDB 1hwj Chain C

Receptor sequence

>1hwjC (length=408) Species: 9606 (Homo sapiens)

PRPNEECLQLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKK
LSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQ
VPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDS
AEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSG
DAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGR
GKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAH
AANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEI
GTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELS
LMAALAAG

3D structure

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

Enzymatic activity

• Catalytic site (original residue number in PDB): E559 K691 D767
• Catalytic site (residue number reindexed from 1): E107 K239 D315
• 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 E528 N529	Y27 E76 N77
BS02	ADP	C	F628 G652 D653 A654 M655 G656 M659	F176 G200 D201 A202 M203 G204 M207
BS03	116	C	R590 V683 S684 D690 K691 K692	R138 V231 S232 D238 K239 K240	MOAD: ic50=10nM
BS04	116	C	E559 C561 K735 L853	E107 C109 K283 L401	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)