Structure of PDB 3cd0 Chain D

Receptor sequence

>3cd0D (length=396) Species: 9606 (Homo sapiens)

GAKFLSDAEIIQLVNAKHLIETHERGVSIRRQLLSKKLSEPSSLQYLPYR
DYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVAS
TNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGF
AVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTE
KALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAK
VVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACG
QDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQ
ACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGH

3D structure

• PDB: 3cd0 Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
• Chain: D
• Resolution: 2.4 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E559 K691 D767
• Catalytic site (residue number reindexed from 1): E94 K226 D302
• 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	6HI	D	E559 C561 L562 S565 R568 K735 A751 L853	E94 C96 L97 S100 R103 K270 A286 L388	MOAD: Kd=26.9nM
BS02	6HI	D	R590 M657 V683 S684 D690 K692	R125 M192 V218 S219 D225 K227	MOAD: Kd=26.9nM

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:3cd0, PDBe:3cd0, PDBj:3cd0
• PDBsum: 3cd0
• PubMed: 18540668
• UniProt: P04035|HMDH_HUMAN 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=HMGCR)