Structure of PDB 7ckq Chain I Binding Site BS03

Receptor Information
>7ckq Chain I (length=276) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KESYYSIGEVSKLANVSIKALRYYDKIDLFKPAYVDPDTSYRYYTDSQLI
HLDLIKSLKYIGTPLEEMKKAQDLEMEELFAFYTEQERQIREKLDFLSAL
EQTISLVKKRMKRQMEYPALGEVFVLDEEEIRIIQTEAEGIGPENVLNAS
YSKLKKFIESADGFTNNSYGATFSFQPYTSIDEMTYRHIFTPVLTNKQIS
SITPDMEITTIPKGRYACIAYNFSPEHYFLNLQKLIKYIADRQLTVVSDV
YELIIPIHYSPKKQEEYRVEMKIRIA
Ligand information
Ligand IDP4P
InChIInChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
InChIKeyUSFPINLPPFWTJW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
ACDLabs 10.04c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
FormulaC24 H20 P
NameTETRAPHENYLPHOSPHONIUM
ChEMBLCHEMBL1182234
DrugBank
ZINCZINC000008234386
PDB chain7ckq Chain I Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ckq The bacterial multidrug resistance regulator BmrR distorts promoter DNA to activate transcription.
Resolution4.4 Å
Binding residue
(original residue number in PDB)		P144 Y187 S225 P226 Y229 E253 Y268
Binding residue
(residue number reindexed from 1)		P143 Y186 S224 P225 Y228 E252 Y267
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
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:7ckq, PDBe:7ckq, PDBj:7ckq
PDBsum7ckq
PubMed33293519
UniProtP39075|BMRR_BACSU Multidrug-efflux transporter 1 regulator (Gene Name=bmrR)

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