Structure of PDB 6io6 Chain A Binding Site BS01

Receptor Information
>6io6 Chain A (length=329) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKVGINGFGRIGRIVFRAAQKRSDIEIVAINDLLDADYMAYMLKYDSTHG
RFDGTVEVKDGHLIVNGKKIRVTAERGPANLKWDEVGVDVVAEATGLFLT
DETARKHITAGAKKVVMTGPSKDNTPMFVKGANFDKYAGQDIVSNASCTT
NCLAPLAKVINDNFGIIEGLMTTVHATTATQKTVDGPSHKDWRGGRGASQ
NIIPSSTGAAKAVGKVLPELNGKLTGMAFRVPTPNVSVVDLTVRLEKAAT
YEQIKAAVKAAAEGEMKGVLGYTEDDVVSTDFNGEVCTSVFDAKAGIALN
DNFVKLVSWYDNETGYSNKVLDLIAHISK
Ligand information
Ligand IDAG
InChIInChI=1S/Ag/q+1
InChIKeyFOIXSVOLVBLSDH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Ag+]
FormulaAg
NameSILVER ION
ChEMBLCHEMBL1230866
DrugBankDB14521
ZINC
PDB chain6io6 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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PDB6io6 Antimicrobial silver targets glyceraldehyde-3-phosphate dehydrogenase in glycolysis ofE. coli.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		E287 C289
Binding residue
(residue number reindexed from 1)		E285 C287
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.1.12: glyceraldehyde-3-phosphate dehydrogenase (phosphorylating).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004365 glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0042802 identical protein binding
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0006006 glucose metabolic process
GO:0006096 glycolytic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:6io6, PDBe:6io6, PDBj:6io6
PDBsum6io6
PubMed31588287
UniProtP0A9B2|G3P1_ECOLI Glyceraldehyde-3-phosphate dehydrogenase A (Gene Name=gapA)

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