Structure of PDB 1jpu Chain A Binding Site BS02
Receptor Information
>1jpu Chain A (length=361) Species:
1422
(Geobacillus stearothermophilus) [
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AERVFISPAKYVQGKNVITKIANYLEGIGNKTVVIADEIVWKIAGHTIVN
ELKKGNIAAEEVVFSGEASRNEVERIANIARKAEAAIVIGVGGGKTLDTA
KAVADELDAYIVIVPTAASTDAPTSALSVGVFESYRFYKKNPDLVLVDTK
IIANAPPRLLASGIADALATWVEARSVIKSGGKTMAGGIPTIAAEAIAEK
CEQTLFKYGKLAYESVKAKVVTPALEAVVEANTLLSGLGFESGGLAAAHA
IHNGFTALEGEIHHLTHGEKVAFGTLVQLALEEHSQQEIERYIELYLCLD
LPVTLEDIKLKDASREDILKVAKAATAEGETIHNAFNVTADDVADAIFAA
DQYAKAYKEKH
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
1jpu Chain A Residue 372 [
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Receptor-Ligand Complex Structure
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PDB
1jpu
Glycerol dehydrogenase. structure, specificity, and mechanism of a family III polyol dehydrogenase.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
E268 H271
Binding residue
(residue number reindexed from 1)
E261 H264
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D173 H256 H259 H274
Catalytic site (residue number reindexed from 1)
D166 H249 H252 H267
Enzyme Commision number
1.1.1.6
: glycerol dehydrogenase.
Gene Ontology
Molecular Function
GO:0008888
glycerol dehydrogenase (NAD+) activity
GO:0016491
oxidoreductase activity
GO:0016614
oxidoreductase activity, acting on CH-OH group of donors
GO:0046872
metal ion binding
Biological Process
GO:0006071
glycerol metabolic process
GO:0019588
anaerobic glycerol catabolic process
Cellular Component
GO:0005829
cytosol
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1jpu
,
PDBe:1jpu
,
PDBj:1jpu
PDBsum
1jpu
PubMed
11566129
UniProt
P32816
|GLDA_GEOSE Glycerol dehydrogenase (Gene Name=gldA)
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