Structure of PDB 8i09 Chain K Binding Site BS01

Receptor Information
>8i09 Chain K (length=246) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PCEELEIVWKNIKAEARALADCEPMLASFYHATLLKHENLGSALSYMLAN
KLASPIMPAIAIREVVEEAYAADPEMIASAACDIQAVRTRDPAVDKYSTP
LLYLKGFHALQAYRIGHWLWNKGRRALAIFLQNQVSVSFQVDIHPAAKIG
RGIMLDHATGIVVGETAVIEDDVSILQSVTLGGTGKTSGDRHPKIREGVM
IGAGAKILGNIEVGRGAKIGAGSVVLQPVPPHTTAAGVPARIVGKP
Ligand information
Ligand IDNF0
InChIInChI=1S/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3
InChIKeyXOPOEBVTQYAOSV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCOC(=O)c1cc(c(c(c1)O)O)O
CACTVS 3.385CCCCOC(=O)c1cc(O)c(O)c(O)c1
FormulaC11 H14 O5
Namebutyl 3,4,5-tris(oxidanyl)benzoate;
butyl gallate
ChEMBLCHEMBL494005
DrugBank
ZINCZINC000001665979
PDB chain8i09 Chain J Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8i09 Alkyl gallates inhibit serine O -acetyltransferase in bacteria and enhance susceptibility of drug-resistant Gram-negative bacteria to antibiotics.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G184 T185 L227
Binding residue
(residue number reindexed from 1)		G183 T184 L226
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.30: serine O-acetyltransferase.
Gene Ontology
Molecular Function
GO:0009001 serine O-acetyltransferase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:0008652 amino acid biosynthetic process
GO:0019344 cysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
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:8i09, PDBe:8i09, PDBj:8i09
PDBsum8i09
PubMed37965540
UniProtA0A0D6I3Y9

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