Structure of PDB 8jfv Chain B Binding Site BS01

Receptor Information
>8jfv Chain B (length=273) Species: 362663 (Escherichia coli 536) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRSIGLVIPDLENTSYTRIANYLERQARQRGYQLLIACSEDQPDNEMRCI
EHLLQRQVDAIIVSTSLPPEHPFYQRWANDPFPIVALDRALDREHFTSVV
GADQDDAEMLAEELRKFPAETVLYLGALPELSVSFLREQGFRTAWKDDPR
EVHFLYANSYEREAAAQLFEKWLETHPMPQALFTTSFALLQGVMDVTLRR
DGKLPSDLAIATFGDNELLDFLQCPVLAVAQRHRDVAERVLEIVLASLDE
PRKPKPGLTRIKRNLYRRGVLSR
Ligand information
Ligand IDEPE
InChIInChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKeyJKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCN1CCN(CCO)CC1
OpenEye OEToolkits 1.5.0C1CN(CCN1CCO)CCS(=O)(=O)O
CACTVS 3.341OCCN1CCN(CC1)CC[S](O)(=O)=O
FormulaC8 H18 N2 O4 S
Name4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID;
HEPES
ChEMBLCHEMBL1232545
DrugBankDB16872
ZINCZINC000019203136
PDB chain8jfv Chain A Residue 403 [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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PDB8jfv Sulisobenzone is a potent inhibitor of the global transcription factor Cra.
Resolution3.05 Å
Binding residue
(original residue number in PDB)		L264 Q283
Binding residue
(residue number reindexed from 1)		L204 Q223
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0009750 response to fructose

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Molecular Function
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Biological Process
External links
PDB RCSB:8jfv, PDBe:8jfv, PDBj:8jfv
PDBsum8jfv
PubMed37805153
UniProtA0A454A0X5

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