Structure of PDB 3bgl Chain D

Receptor sequence
>3bglD (length=410) Species: 9606 (Homo sapiens) [Search protein sequence]
PRPNEECLGAKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLL
SKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEK
EFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRA
CDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQS
RSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWI
EGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGY
NAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPS
IEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAG
ELSLMAALAA
3D structure
PDB3bgl Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
ChainD
Resolution2.225 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) E559 K691 D767
Catalytic site (residue number reindexed from 1) E110 K242 D318
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 RID D E559 C561 S565 K735 A751 A856 E110 C112 S116 K286 A302 A407 MOAD: ic50=4.5nM
BS02 RID D R590 M657 V683 S684 D690 K692 R141 M208 V234 S235 D241 K243 MOAD: ic50=4.5nM
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

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Cellular Component
External links
PDB RCSB:3bgl, PDBe:3bgl, PDBj:3bgl
PDBsum3bgl
PubMed18155906
UniProtP04035|HMDH_HUMAN 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=HMGCR)

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