Structure of PDB 7ayw Chain A Binding Site BS01

Receptor Information
>7ayw Chain A (length=138) Species: 623 (Shigella flexneri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSISTAVIDAINLKDINAIPDDMMDDIYSYAYDFYNKGRIEEAEVFFRFL
CIYDFYNVDYIMGLAAIYQIKEQFQQAADLYAVAFALGKNDYTPVFHTGQ
CQLRLKAPLKAKECFELVIQHSNDEKLKIKAQSYLDAI
Ligand information
Ligand IDF05
InChIInChI=1S/C8H8N2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2,(H2,9,10)
InChIKeyMTKKGHVQPVOXIL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC1=NCc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CN=C2N
ACDLabs 12.01c1cccc2c1cnc2N
FormulaC8 H8 N2
Name1H-isoindol-3-amine
ChEMBLCHEMBL1617729
DrugBank
ZINCZINC000000127291
PDB chain7ayw Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ayw Crystal structure of a shortened IpgC variant in complex with 2H-isoindol-1-amine
Resolution1.78 Å
Binding residue
(original residue number in PDB)		Y68 L99
Binding residue
(residue number reindexed from 1)		Y56 L87
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0042802 identical protein binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:7ayw, PDBe:7ayw, PDBj:7ayw
PDBsum7ayw
PubMed
UniProtP0A2U4|IPGC_SHIFL Chaperone protein IpgC (Gene Name=ipgC)

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