Structure of PDB 3cd5 Chain D

Receptor sequence

>3cd5D (length=416) Species: 9606 (Homo sapiens)

PRPNEECLQGAKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQL
LSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDE
KEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPR
ACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQ
SRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINW
IEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGG
YNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMP
SIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMA
GELSLMAALAAGHLVK

3D structure

• PDB: 3cd5 Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
• Chain: D
• Resolution: 2.39 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E559 K691 D767
• Catalytic site (residue number reindexed from 1): E111 K243 D319
• 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	7HI	D	E559 A564 S565 R568 K735 A751 H752 L853 V863 K864	E111 A116 S117 R120 K287 A303 H304 L405 V415 K416	MOAD: Kd=12.7nM
BS02	7HI	D	R590 S684 D690 K692	R142 S236 D242 K244	MOAD: Kd=12.7nM

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:3cd5, PDBe:3cd5, PDBj:3cd5
• PDBsum: 3cd5
• PubMed: 18540668
• UniProt: P04035|HMDH_HUMAN 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=HMGCR)