Structure of PDB 6ugl Chain A Binding Site BS01

Receptor Information
>6ugl Chain A (length=200) Species: 914149 (Vibrio cholerae O1 str. 2010EL-1786) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLEQISLFKQLPGYWGCKDLNSVFVYANQAYGELIGLKRAEDCIGRTDFE
MPSPTAACAAEFQQQDRYVIETGHSVKVLDIHPYPDGHWHAHIFTKTPWR
DSQGKIQGTIFFGQDLKLTARESEVLFLLLYGKKPQHIARVMGISIKTVE
GYEAKLRSKFGALSKDQLIDLALDRGFGSVIPKTLLRKQLSVVLSDHTIP
Ligand information
Ligand IDQOS
InChIInChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)
InChIKeyAJYKJVCIKQEVCF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1=C(N=C(C)C(N1)=O)C
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=CNC(=O)C(=N1)C
FormulaC6 H8 N2 O
Name3,5-dimethylpyrazin-2(1H)-one
ChEMBL
DrugBank
ZINCZINC000014448309
PDB chain6ugl Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ugl Mechanism underlying autoinducer recognition in theVibrio choleraeDPO-VqmA quorum-sensing pathway.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		K23 Y36 F67 D85 F99 K101
Binding residue
(residue number reindexed from 1)		K18 Y31 F62 D80 F94 K96
Annotation score1
Binding affinityMOAD: Kd=2.3uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:6ugl, PDBe:6ugl, PDBj:6ugl
PDBsum6ugl
PubMed31964715
UniProtA0A0F0AZW0

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