Structure of PDB 8qh6 Chain A Binding Site BS01

Receptor Information
>8qh6 Chain A (length=128) Species: 623 (Shigella flexneri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLKDINAIPDDMMDDIYSYAYDFYNKGRIEEAEVFFRFLCIYDFYNVDYI
MGLAAIYQIKEQFQQAADLYAVAFALGKNDYTPVFHTGQCQLRLKAPLKA
KECFELVIQHSNDEKLKIKAQSYLDAIQ
Ligand information
Ligand IDV9U
InChIInChI=1S/C8H5ClN2O/c9-4-1-2-5-6(3-4)8(12)11-7(5)10/h1-3H,(H2,10,11,12)
InChIKeyKLICXIFDRLZSGO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)C(=O)N=C2N
CACTVS 3.385NC1=NC(=O)c2cc(Cl)ccc12
FormulaC8 H5 Cl N2 O
Name3-azanyl-6-chloranyl-isoindol-1-one
ChEMBL
DrugBank
ZINCZINC000136955503
PDB chain8qh6 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qh6 Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K101 Y104
Binding residue
(residue number reindexed from 1)		K78 Y81
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:8qh6, PDBe:8qh6, PDBj:8qh6
PDBsum8qh6
PubMed38075755
UniProtP0A2U4|IPGC_SHIFL Chaperone protein IpgC (Gene Name=ipgC)

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