Structure of PDB 1dqa Chain B

Receptor sequence
>1dqaB (length=405) Species: 9606 (Homo sapiens) [Search protein sequence]
LSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQY
LPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGC
LVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLET
SEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMIS
KGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAV
IPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIY
IACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNL
LPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGH
LVKSH
3D structure
PDB1dqa Crystal structure of the catalytic portion of human HMG-CoA reductase: insights into regulation of activity and catalysis.
ChainB
Resolution2.0 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 H866
Catalytic site (residue number reindexed from 1) E98 K230 D306 H405
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 K692 R129 S223 D229 K231 BindingDB: Ki=23.5nM,IC50=4000nM
BS02 NAP B E559 H866 E98 H405
BS03 COA B E559 L562 A564 S565 N567 R568 K722 H752 L853 S865 H866 E98 L101 A103 S104 N106 R107 K261 H291 L392 S404 H405
BS04 MAH B E559 K735 A751 N755 E98 K274 A290 N294 BindingDB: Ki=23.5nM,IC50=4000nM
BS05 NAP B S626 R627 F628 D653 A654 M655 G656 M657 N658 D690 K691 D767 V805 S165 R166 F167 D192 A193 M194 G195 M196 N197 D229 K230 D306 V344
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1dqa, PDBe:1dqa, PDBj:1dqa
PDBsum1dqa
PubMed10698924
UniProtP04035|HMDH_HUMAN 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=HMGCR)

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