Structure of PDB 1r8e Chain A Binding Site BS02

Receptor Information
>1r8e Chain A (length=275) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESYYSIGEVSKLANVSIKALRYYDKIDLFKPAYVDPDTSYRYYTDSQLIH
LDLIKSLKYIGTPLEEMKKAQDLEMEELFAFYTEQERQIREKLDFLSALE
QTISLVKKRMKRQMEYPALGEVFVLDEEEIRIIQTEAEGIGPENVLNASY
SKLKKFIESADGFTNNSYGATFSFQPYTSIDEMTYRHIFTPVLTNKQISS
ITPDMEITTIPKGRYACIAYNFSPEHYFLNLQKLIKYIADRQLTVVSDVY
ELIIPIHYSPKKQEEYRVEMKIRIA
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 chain1r8e Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1r8e The structural mechanism for transcription activation by MerR family member multidrug transporter activation, N terminus.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y5 Y35 Y44
Binding residue
(residue number reindexed from 1)		Y3 Y33 Y42
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:1r8e, PDBe:1r8e, PDBj:1r8e
PDBsum1r8e
PubMed14985361
UniProtP39075|BMRR_BACSU Multidrug-efflux transporter 1 regulator (Gene Name=bmrR)

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