Structure of PDB 6wl5 Chain C Binding Site BS02

Receptor Information
>6wl5 Chain C (length=158) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLYQAALKEIPECIVYSKRFIVPDFSSYIKLIPPIGQEVMKANPGLTLTT
PAYCFTLYHDKEYKEKNMDVEFCEAVNDFGKNEGNIIFQVIPAITAVTVI
HKGPYDSLRNAYIYLMQWVEDNGYLLTNSPRESYIDGIWNKQDSAEWMTE
IQFPVEKV
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 chain6wl5 Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6wl5 Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		C165 W250
Binding residue
(residue number reindexed from 1)		C54 W139
Annotation score1
External links