Structure of PDB 5zxl Chain A Binding Site BS02

Receptor Information
>5zxl 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 IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain5zxl Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zxl Structure of glycerol dehydrogenase (GldA) from Escherichia coli.
Resolution2.794 Å
Binding residue
(original residue number in PDB)		D121 F245 H254
Binding residue
(residue number reindexed from 1)		D121 F245 H254
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D171 H254 H257 H271
Catalytic site (residue number reindexed from 1) D171 H254 H257 H271
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:5zxl, PDBe:5zxl, PDBj:5zxl
PDBsum5zxl
PubMed30839292
UniProtP0A9S5|GLDA_ECOLI Glycerol dehydrogenase (Gene Name=gldA)

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