Structure of PDB 3p73 Chain A Binding Site BS01

Receptor Information
>3p73 Chain A (length=275) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFGSHSLRYFLTGMTDPGPGMPRFVIVGYVDDKIFGTYNSKSRTAQPIVE
MLPQEDQEHWDTQTQKAQGGERDFDWNLNRLPERYNKSKGSHTMQMMFGC
DILEDGSIRGYDQYAFDGRDFLAFDMDTMTFTAADPVAEITKRRWETEGT
YAERWKHELGTVCVQNLRRYLEHGKAALKRRVQPEVRVWGKEADGILTLS
CHAHGFYPRPITISWMKDGMVRDQETRWGGIVPNSDGTYHASAAIDVLPE
DGDKYWCRVEHASLPQPGLFSWEPQ
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 chain3p73 Chain A Residue 274 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p73 Structure of a Classical MHC Class I Molecule That Binds "Non-Classical" Ligands.
Resolution1.32 Å
Binding residue
(original residue number in PDB)
F33 G34 Q61 D71 N75 Y112 W143
Binding residue
(residue number reindexed from 1)
F35 G36 Q63 D73 N77 Y114 W145
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links