Structure of PDB 7e66 Chain A Binding Site BS02

Receptor Information
>7e66 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 IDHY6
InChIInChI=1S/C10H13N3O5S/c11-19(17,18)8-3-1-7(2-4-8)5-9(14)12-6-10(15)13-16/h1-4,16H,5-6H2,(H,12,14)(H,13,15)(H2,11,17,18)
InChIKeyGWOXOVVAPORITL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1CC(=O)NCC(=O)NO)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1ccc(CC(=O)NCC(=O)NO)cc1
FormulaC10 H13 N3 O5 S
NameN-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide
ChEMBL
DrugBank
ZINC
PDB chain7e66 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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PDB7e66 Structure-based inhibitor design for reshaping bacterial morphology
Resolution2.84 Å
Binding residue
(original residue number in PDB)		Y129 S169 D172 R195 Y215 H216 R242
Binding residue
(residue number reindexed from 1)		Y110 S150 D153 R176 Y196 H197 R223
Annotation score1
External links