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Ligand · PC6

PC6 · 7-[(dodecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphadotriacontan-1-aminium 4-oxide

PC6, 7-[(dodecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphadotriacontan-1-aminium 4-oxide (C45 H90 N O8 P, 804.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
PC6
Formula
C45 H90 N O8 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

PC6 in 2 structures; the first of them:

  • 1ZHN · Crystal Structure of mouse CD1d bound to the self ligand phosphatidylcholine · PC6 A1 · binds PHE10, CYS12, GLN14, SER28, VAL30, TRP40, ILE47, TRP63 and 29 more
  • 1ZHN · Crystal structure of mouse CD1D bound to the self ligand phosphatidylcholine · PC6 A1 · binds PHE10, CYS12, GLN14, SER28, VAL30, TRP40, ILE47, TRP63 and 29 more

Residues it binds most

LEU 2, PHE 2, VAL 2, ILE 2, TRP 2, ASP 2, CYS 2, SER 2, THR 2, ALA 2 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • GOL · Glycerol

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