Structure of PDB 8goa Chain A Binding Site BS01

Receptor Information
>8goa Chain A (length=367) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDRIIQSPGKYIQGADVINRLGEYLKPLAERWLVVGDKFVLGFAQSTVEK
SFKDAGLVVEIAPFGGECSQNEIDRLRGIAETAQCGAILGIGGGKTLDTA
KALAHFMGVPVAIAPTIASTDAPCSALSVIYTDEGEFDRYLLLPNNPNMV
IVDTKIVAGAPARLLAAGIGDALATWFEARACSRSGATTMAGGKCTQAAL
ALAELCYNTLLEEGEKAMLAAEQHVVTPALERVIEANTYLSGVGFESGGL
AAAHAVHNGLTAIPDAHHYYHGEKVAFGTLTQLVLENAPVEEIETVAALS
HAVGLPITLAQLDIKEDVPAKMRIVAEAACAEGETIHNMPGGATPDQVYA
ALLVADQYGQRFLQEWE
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 chain8goa Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8goa Structural and functional insights into the flexible beta-hairpin of glycerol dehydrogenase.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D171 H254 H271
Binding residue
(residue number reindexed from 1)		D171 H254 H271
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.6: glycerol dehydrogenase.
1.1.1.75: (R)-aminopropanol dehydrogenase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008888 glycerol dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0019147 (R)-aminopropanol dehydrogenase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006071 glycerol metabolic process
GO:0019588 anaerobic glycerol catabolic process
GO:0051289 protein homotetramerization
GO:0051596 methylglyoxal catabolic process
Cellular Component
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8goa, PDBe:8goa, PDBj:8goa
PDBsum8goa
PubMed37165682
UniProtP0A9S5|GLDA_ECOLI Glycerol dehydrogenase (Gene Name=gldA)

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