Structure of PDB 7e67 Chain A Binding Site BS02

Receptor Information
>7e67 Chain A (length=255) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELIKGQALFLELDKKDFLSLKNNDKNIPTFAHPKNQEKILAIFSLPYKN
PPQNTKLIAFYKDKKEEIFIKTLEGNYKSEKLQVENKKIFPPKTIQERIA
KELKEANAIYSSYTPKALFNGAFNIPLNSFITSDFGKARTFNEKVASYHS
GTDFRAATGTPIYAANSGVVKIAKDRYFAGNSVVIDHGFGIYSQYYHLSK
IDVKVGQKIKKGELIGLSGASGRVSGPALHFGILAGGKQVDPLDFVSKFN
AIFQL
Ligand information
Ligand IDHXR
InChIInChI=1S/C14H14N2O4S/c15-21(19,20)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20)
InChIKeyPHUYCWVFVRSGMR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1CC(=O)NO)c2ccc(cc2)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)c2ccc(CC(=O)NO)cc2
FormulaC14 H14 N2 O4 S
NameN-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide
ChEMBL
DrugBank
ZINC
PDB chain7e67 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7e67 Structure-based inhibitor design for reshaping bacterial morphology
Resolution2.85 Å
Binding residue
(original residue number in PDB)		Y129 S169 D172 R195 A198 Y215 R242 H249
Binding residue
(residue number reindexed from 1)		Y110 S150 D153 R176 A179 Y196 R223 H230
Annotation score1
External links