Structure of PDB 7ssu Chain B Binding Site BS01

Receptor Information
>7ssu 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 IDB5J
InChIInChI=1S/C19H18P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/q+1
InChIKeyAZFQCTBZOPUVOW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
ACDLabs 12.01C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
FormulaC19 H18 P
Namemethyltriphenylphosphonium
ChEMBLCHEMBL1179021
DrugBank
ZINCZINC000042784648
PDB chain7ssu Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ssu Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Resolution3.22 Å
Binding residue
(original residue number in PDB)		E14 Y40 W63
Binding residue
(residue number reindexed from 1)		E13 Y39 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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ssu, PDBe:7ssu, PDBj:7ssu
PDBsum7ssu
PubMed35254261
UniProtP23895|EMRE_ECOLI Multidrug transporter EmrE (Gene Name=emrE)

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