Structure of PDB 1dq8 Chain B

Receptor sequence

>1dq8B (length=405) Species: 9606 (Homo sapiens)

FLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQ
YLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEG
CLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLE
TSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMI
SKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEA
VIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAI
YIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTN
LLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG
HLVKS

3D structure

• PDB: 1dq8 Crystal structure of the catalytic portion of human HMG-CoA reductase: insights into regulation of activity and catalysis.
• 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): E99 K231 D307
• 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	MAH	B	R590 S684 D690 K691 K692	R130 S224 D230 K231 K232	BindingDB: Ki=23.5nM,IC50=4000nM
BS02	COA	B	E559 L562 A564 S565 N567 R568 R571 K722 H752 L853	E99 L102 A104 S105 N107 R108 R111 K262 H292 L393
BS03	MAH	B	E559 K735 A751 N755 L853	E99 K275 A291 N295 L393	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)