GL1X · GenesisL1 explorer

Ligand · 2Y3

2Y3 · N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-L-histidinamide

2Y3, N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-L-histidinamide (C37 H58 N6 O6, 682.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
2Y3
Formula
C37 H58 N6 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

2Y3 in 2 structures; the first of them:

  • 1FQ7 · X-ray structure of inhibitor cp-72,647 bound to saccharopepsin · 2Y3 A400 · binds GLN13, ILE30, ASP32, GLY34, SER35, TYR75, GLY76, THR77 and 17 more
  • 1FQ7 · X-ray structure of inhibitor cp-72,647 bound to saccharopepsin · 2Y3 A400 · binds GLN13, ILE30, ASP32, GLY34, SER35, TYR75, GLY76, THR77 and 17 more

Residues it binds most

GLY 2, PHE 2, THR 2, ILE 2, ASP 2, GLN 2, SER 2, TYR 2, LEU 2, MET 2 (residue and the binding sites it lines).

Found with

  • BMA · beta-D-mannopyranose
  • KBG · beta-D-arabino-hexopyranos-2-ulose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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