Structure of PDB 7jk8 Chain B Binding Site BS01

Receptor Information
>7jk8 Chain B (length=102) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YIYLGGAILAEVIGTTLMKFSEGFTRLWPSVGTIICYCASFWLLAQTLAY
IPTGIAYAIWVGVGIVLISLLSWGFFGQRLDLPAIIGMMLICAGVLIINL
LS
Ligand information
Ligand IDVCJ
InChIInChI=1S/C24H16F4P/c25-17-1-9-21(10-2-17)29(22-11-3-18(26)4-12-22,23-13-5-19(27)6-14-23)24-15-7-20(28)8-16-24/h1-16H/q+1
InChIKeyBHXRYKOELHRJEJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1c(ccc(c1)F)[P+](c2ccc(cc2)F)(c3ccc(F)cc3)c4ccc(cc4)F
OpenEye OEToolkits 2.0.7c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F
CACTVS 3.385Fc1ccc(cc1)[P+](c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4
FormulaC24 H16 F4 P
Nametetrakis(4-fluorophenyl)phosphanium
ChEMBL
DrugBank
ZINC
PDB chain7jk8 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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PDB7jk8 Structure and dynamics of the drug-bound bacterial transporter EmrE in lipid bilayers.
ResolutionN/A
Binding residue
(original residue number in PDB)		L47 Y60 W63
Binding residue
(residue number reindexed from 1)		L44 Y57 W60
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:7jk8, PDBe:7jk8, PDBj:7jk8
PDBsum7jk8
PubMed33420032
UniProtP23895|EMRE_ECOLI Multidrug transporter EmrE (Gene Name=emrE)

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