Structure of PDB 7sv9 Chain B Binding Site BS01

Receptor Information
>7sv9 Chain B (length=102) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPYIYLGGAILAEVIGTTLMKFSNGFTRLIPSMGTIICYCASFWLLAQTL
AYIPTGIAYAIWSGVGIVLISLLSWGFFGQRLDLPAIIGMMLICAGVLII
NL
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 chain7sv9 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7sv9 Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Resolution3.36 Å
Binding residue
(original residue number in PDB)		E14 Y40 S43 F44 Y60 W63
Binding residue
(residue number reindexed from 1)		E13 Y39 S42 F43 Y59 W62
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015199 amino-acid betaine transmembrane transporter activity
GO:0015220 choline transmembrane transporter activity
GO:0015297 antiporter activity
GO:0022857 transmembrane transporter activity
GO:0042802 identical protein binding
GO:0042910 xenobiotic transmembrane transporter activity
Biological Process
GO:0006805 xenobiotic metabolic process
GO:0006970 response to osmotic stress
GO:0006974 DNA damage response
GO:0009410 response to xenobiotic stimulus
GO:0015871 choline transport
GO:0031460 glycine betaine transport
GO:0042908 xenobiotic transport
GO:0055085 transmembrane transport
GO:0071466 cellular response to xenobiotic stimulus
GO:1990961 xenobiotic detoxification by transmembrane export across the plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:1990207 EmrE multidrug transporter complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7sv9, PDBe:7sv9, PDBj:7sv9
PDBsum7sv9
PubMed35254261
UniProtP23895|EMRE_ECOLI Multidrug transporter EmrE (Gene Name=emrE)

[Back to BioLiP]