Structure of PDB 1dq8 Chain C

Receptor sequence

>1dq8C (length=402) Species: 9606 (Homo sapiens)

DAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLP
YRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLV
ASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSE
GFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKG
TEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIP
AKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIA
CGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLP
QQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLV
KS

3D structure

• PDB: 1dq8 Crystal structure of the catalytic portion of human HMG-CoA reductase: insights into regulation of activity and catalysis.
• Chain: C
• Resolution: 2.1 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E559 K691 D767
• Catalytic site (residue number reindexed from 1): E96 K228 D304
• 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	COA	C	E559 C561 L562 A564 S565 N567 R568 K722 H752 L853 S865	E96 C98 L99 A101 S102 N104 R105 K259 H289 L390 S402
BS02	MAH	C	E559 K735 A751 N755 L853	E96 K272 A288 N292 L390	BindingDB: Ki=23.5nM,IC50=4000nM
BS03	MAH	C	R590 S684 D690 K692	R127 S221 D227 K229	BindingDB: Ki=23.5nM,IC50=4000nM

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:1dq8, PDBe:1dq8, PDBj:1dq8
• PDBsum: 1dq8
• PubMed: 10698924
• UniProt: P04035|HMDH_HUMAN 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=HMGCR)