Structure of PDB 8vxu Chain D Binding Site BS01

Receptor Information
>8vxu Chain D (length=104) Species: 2044939 (Clostridia bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAWLILIIAGIFEVVWAIALKYSNGFTRLIPSMITLIGMLISFYLLSQAT
KTLPIGTAYTIWTGIGALGAVICGIIFFKEPLTALRIVFMILLLTGIIGL
KATS
Ligand information
Ligand ID16A
InChIInChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1
InChIKeyRLGQACBPNDBWTB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04C(CCCC[N+](C)(C)C)CCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCCCCCC[N+](C)(C)C
FormulaC19 H42 N
NameCETYL-TRIMETHYL-AMMONIUM
ChEMBLCHEMBL1183605
DrugBankDB01718
ZINCZINC000006846023
PDB chain8vxu Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8vxu Peripheral mutations underlie promiscuous transport of quaternary ammonium antiseptics by Small Multidrug Resistance transporters
Resolution2.29 Å
Binding residue
(original residue number in PDB)		E13 W16 T63
Binding residue
(residue number reindexed from 1)		E13 W16 T63
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0022857 transmembrane transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8vxu, PDBe:8vxu, PDBj:8vxu
PDBsum8vxu
PubMed38865266
UniProtU2EQ00

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