Structure of PDB 7nl8 Chain B Binding Site BS01

Receptor Information
>7nl8 Chain B (length=142) Species: 623 (Shigella flexneri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSISTAVIDAINSGATLKDINAIPDDMMDDIYSYAYDFYNKGRIEEAEVF
FRFLCIYDFYNVDYIMGLAAIYQIKEQFQQAADLYAVAFALGKNDYTPVF
HTGQCQLRLKAPLKAKECFELVIQHSNDEKLKIKAQSYLDAI
Ligand information
Ligand ID45L
InChIInChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKeyXFNNAMBYJSQXKF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NN)c1cccc(c1)C
CACTVS 3.385
OpenEye OEToolkits 1.9.2		Cc1cccc(c1)C(=O)NN
FormulaC8 H10 N2 O
Name3-methylbenzohydrazide
ChEMBL
DrugBank
ZINCZINC000000280882
PDB chain7nl8 Chain B Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nl8 Crystal structure of a shortened IpgC variant in complex with 3-methylbenzohydrazide
Resolution1.59 Å
Binding residue
(original residue number in PDB)		A94 T110 K122 C126
Binding residue
(residue number reindexed from 1)		A86 T102 K114 C118
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:7nl8, PDBe:7nl8, PDBj:7nl8
PDBsum7nl8
PubMed
UniProtP0A2U4|IPGC_SHIFL Chaperone protein IpgC (Gene Name=ipgC)

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