Structure of PDB 3p73 Chain A Binding Site BS01
Receptor Information
>3p73 Chain A (length=275) Species:
9031
(Gallus gallus) [
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EFGSHSLRYFLTGMTDPGPGMPRFVIVGYVDDKIFGTYNSKSRTAQPIVE
MLPQEDQEHWDTQTQKAQGGERDFDWNLNRLPERYNKSKGSHTMQMMFGC
DILEDGSIRGYDQYAFDGRDFLAFDMDTMTFTAADPVAEITKRRWETEGT
YAERWKHELGTVCVQNLRRYLEHGKAALKRRVQPEVRVWGKEADGILTLS
CHAHGFYPRPITISWMKDGMVRDQETRWGGIVPNSDGTYHASAAIDVLPE
DGDKYWCRVEHASLPQPGLFSWEPQ
Ligand information
Ligand ID
16A
InChI
InChI=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
InChIKey
RLGQACBPNDBWTB-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
C(CCCC[N+](C)(C)C)CCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0
CCCCCCCCCCCCCCCC[N+](C)(C)C
Formula
C19 H42 N
Name
CETYL-TRIMETHYL-AMMONIUM
ChEMBL
CHEMBL1183605
DrugBank
DB01718
ZINC
ZINC000006846023
PDB chain
3p73 Chain A Residue 274 [
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Receptor-Ligand Complex Structure
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PDB
3p73
Structure of a Classical MHC Class I Molecule That Binds "Non-Classical" Ligands.
Resolution
1.32 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 score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:3p73
,
PDBe:3p73
,
PDBj:3p73
PDBsum
3p73
PubMed
21151886
UniProt
Q9BCW3
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