Structure of PDB 5ug1 Chain A Binding Site BS01

Receptor Information
>5ug1 Chain A (length=179) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIADGTMLIGDSVALRANTALQTALPGAQINAQVSVTTKTANEIMLNNSQ
NKFLPKTVVIATGVNNPENYKDDWDSIVKNLPKGHHMILVTPYEGDKTKE
TYAIVEKAAAYMRELAEKTPYITIADWNQVAKEHPEIWAGTDQVHFGSES
STIEAGAKLYADTIATALQTAQDKPVKSK
Ligand information
Ligand ID03S
InChIInChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
InChIKeyAFVFQIVMOAPDHO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)C
OpenEye OEToolkits 1.7.2CS(=O)(=O)O
CACTVS 3.370C[S](O)(=O)=O
FormulaC H4 O3 S
Namemethanesulfonic acid
ChEMBLCHEMBL3039600
DrugBank
ZINC
PDB chain5ug1 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ug1 In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S438 V460 N491 H571
Binding residue
(residue number reindexed from 1)		S12 V34 N65 H145
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.-
External links