Structure of PDB 8vxu Chain E Binding Site BS01

Receptor Information
>8vxu Chain E (length=90) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSVPTKLEVVAATPTSLLISWDAGHWWEWVTYYRITYGETGGNSPVQEFT
VPGYSSTATISGLKPGVDYTITVYAPTSDYGSPISINYRT
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 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]
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)		Y34 T79
Binding residue
(residue number reindexed from 1)		Y32 T77
Annotation score1
External links