GL1X · GenesisL1 explorer

Ligand · JH0

JH0 · 6-(hydroxy-hexadecanoyl-amino)-2-{[(4S)-2-(2-hydroxy-phenyl)-4,5-dihydro-oxazole-4-carbonyl]-amino}-hexanoic acid 2-[(3S)-1-(tert-butyl-diphenyl-silanyloxy)-2-oxo-azepan-3-ylcarbamoyl]-(1S)-1-methyl-ethyl ester

JH0, 6-(hydroxy-hexadecanoyl-amino)-2-{[(4S)-2-(2-hydroxy-phenyl)-4,5-dihydro-oxazole-4-carbonyl]-amino}-hexanoic acid 2-[(3S)-1-(tert-butyl-diphenyl-silanyloxy)-2-oxo-azepan-3-ylcarbamoyl]-(1S)-1-methyl-ethyl ester (C58 H85 N5 O10 Si…

Component
JH0
Formula
C58 H85 N5 O10 Si
Class
ligand
Structures
2
PDB entries
1

Binding sites

JH0 in 2 structures; the first of them:

  • 1XZ0 · Crystal structure of CD1a in complex with a synthetic mycobactin lipopeptide · JH0 A601 · binds PHE10, VAL12, ILE13, TRP14, VAL28, HIS38, ILE47, TRP63 and 24 more
  • 1XZ0 · Crystal structure of CD1A in complex with a synthetic mycobactin lipopeptide · JH0 A601 · binds PHE10, VAL12, ILE13, TRP14, VAL28, HIS38, ILE47, TRP63 and 24 more

Residues it binds most

LEU 4, PHE 4, VAL 4, TRP 4, ILE 4, THR 4, GLY 4, ARG 4, CYS 4, GLU 4 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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