Structure of PDB 1dq8 Chain A

Receptor sequence

>1dq8A (length=417) Species: 9606 (Homo sapiens)

PREPRPNEECLQIKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRR
QLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCL
DEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRL
PRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIR
FQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAI
NWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSI
GGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCT
MPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTV
MAGELSLMAALAAGHLV

3D structure

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

Enzymatic activity

• Catalytic site (original residue number in PDB): E559 K691 D767
• Catalytic site (residue number reindexed from 1): E113 K245 D321
• 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	A	E559 L562 A564 S565 N567 R568 R571 K722 H752 L853	E113 L116 A118 S119 N121 R122 R125 K276 H306 L407
BS02	MAH	A	E559 K735 A751 N755 L853	E113 K289 A305 N309 L407	BindingDB: Ki=23.5nM,IC50=4000nM
BS03	MAH	A	R590 S684 D690 K692	R144 S238 D244 K246	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)