Structure of PDB 8i09 Chain F Binding Site BS03

Receptor Information
>8i09 Chain F (length=245) 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]
CEELEIVWKNIKAEARALADCEPMLASFYHATLLKHENLGSALSYMLANK
LASPIMPAIAIREVVEEAYAADPEMIASAACDIQAVRTRDPAVDKYSTPL
LYLKGFHALQAYRIGHWLWNKGRRALAIFLQNQVSVSFQVDIHPAAKIGR
GIMLDHATGIVVGETAVIEDDVSILQSVTLGGTGKTSGDRHPKIREGVMI
GAGAKILGNIEVGRGAKIGAGSVVLQPVPPHTTAAGVPARIVGKP
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 F Residue 501 [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)		M201 G203 K219 I220 G221 A237
Binding residue
(residue number reindexed from 1)		M199 G201 K217 I218 G219 A235
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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