Structure of PDB 3hf0 Chain A Binding Site BS01

Receptor Information
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 chain3hf0 Chain A Residue 34 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hf0 alpha/beta-Peptide helix crystallized from detergent solution: GCN4-pLI side chain sequence on an (alpha-alpha-beta-alpha-beta-alpha-beta) backbone with cyclic beta-residues
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E6 L9 X10 X17
Binding residue
(residue number reindexed from 1)		E3 L6 X7 X14
Annotation score1
External links