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Ligand · 78A

78A · N-({(2S,3S)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-L-isoleucyl-L-proline

78A, N-({(2S,3S)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-L-isoleucyl-L-proline (C22 H29 N3 O6, 431.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
78A
Formula
C22 H29 N3 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

78A in 2 structures; the first of them:

  • 2DCD · X-ray crystal structure analysis of bovine spleen cathepsin B-CA078 complex · 78A A780 · binds GLN23, GLY24, SER25, CYS26, GLY27, SER28, CYS29, TRP30 and 14 more
  • 2DCD · X-ray crystal structure analysis of bovine spleen cathepsin B-CA078 complex · 78A A780 · binds GLN23, GLY24, SER25, CYS26, GLY27, SER28, CYS29, TRP30 and 14 more

Residues it binds most

GLY 2, HIS 2, ALA 2, CYS 2, SER 2, TRP 2, GLN 2, GLU 2, MET 2, PRO 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • GOL · Glycerol

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