Structure of PDB 1jq5 Chain A Binding Site BS02

Receptor Information
>1jq5 Chain A (length=366) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAERVFISPAKYVQGKNVITKIANYLEGIGNKTVVIADEIVWKIAGHTIV
NELKKGNIAAEEVVFSGEASRNEVERIANIARKAEAAIVIGVGGGKTLDT
AKAVADELDAYIVIVPTAASTDAPTSALSVIYSDDGVFESYRFYKKNPDL
VLVDTKIIANAPPRLLASGIADALATWVEARSVIKSGGKTMAGGIPTIAA
EAIAEKCEQTLFKYGKLAYESVKAKVVTPALEAVVEANTLLSGLGFESGG
LAAAHAIHNGFTALEGEIHHLTHGEKVAFGTLVQLALEEHSQQEIERYIE
LYLCLDLPVTLEDIKLKDASREDILKVAKAATAEGETIHNAFNVTADDVA
DAIFAADQYAKAYKEK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1jq5 Chain A Residue 372 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jq5 Glycerol dehydrogenase. structure, specificity, and mechanism of a family III polyol dehydrogenase.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E268 H271
Binding residue
(residue number reindexed from 1)		E267 H270
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D173 H256 H259 H274
Catalytic site (residue number reindexed from 1) D172 H255 H258 H273
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1jq5, PDBe:1jq5, PDBj:1jq5
PDBsum1jq5
PubMed11566129
UniProtP32816|GLDA_GEOSE Glycerol dehydrogenase (Gene Name=gldA)

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