Structure of PDB 7xro Chain B Binding Site BS01

Receptor Information
>7xro Chain B (length=207) Species: 216597 (Salmonella enterica subsp. enterica serovar Typhimurium str. SL1344) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VARGESGVLRVGFTASAAFNSVVPGAIRTFKRAYPDVRLQLEEGNTTQLA
DELNEGSLDVAFLRPGFTGNERFQLRLLSEEPMVIVLAETHPAAACKQIA
LSILKDEFFLLFPREIGLSLYDAVIKACGKAGFEPKIGQLVPQISSVINL
VSAEMGVSMVPDSMRQVNVKGVVYRPVADQMPVAKLALAYRRGDTSPTLR
NFILKVT
Ligand information
Ligand IDHCI
InChIInChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKeyXMIIGOLPHOKFCH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCc1ccccc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCC(=O)O
CACTVS 3.370OC(=O)CCc1ccccc1
FormulaC9 H10 O2
NameHYDROCINNAMIC ACID;
3PP;
3-PHENYLPROPIONIC ACID
ChEMBLCHEMBL851
DrugBankDB02024
ZINCZINC000000154564
PDB chain7xro Chain B 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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PDB7xro The activation mechanism of the itaconic acid-responsive LTTR RipR in the pathogenesis of the foodborne-pathogen Salmonella enterica
Resolution2.8 Å
Binding residue
(original residue number in PDB)		T98 S100 T130 R148 I200 G201 L202 S203 L204
Binding residue
(residue number reindexed from 1)		T14 S16 T46 R64 I116 G117 L118 S119 L120
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Biological Process
External links
PDB RCSB:7xro, PDBe:7xro, PDBj:7xro
PDBsum7xro
PubMed
UniProtQ9RQ20

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