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Ligand · 77B

77B · Benzyl N-({(2S,3S)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-L-isoleucyl-L-prolinate

77B, Benzyl N-({(2S,3S)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-L-isoleucyl-L-prolinate (C29 H35 N3 O6, 521.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
77B
Formula
C29 H35 N3 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

77B in 2 structures; the first of them:

  • 2DCC · X-ray crystal structure analysis of bovine spleen cathepsin B-CA077 complex · 77B A770 · binds GLN23, GLY24, CYS26, GLY27, SER28, CYS29, TRP30, ASN72 and 10 more
  • 2DCC · X-ray crystal structure analysis of bovine spleen cathepsin B-CA077 complex · 77B A770 · binds GLN23, GLY24, CYS26, GLY27, SER28, CYS29, TRP30, ASN72 and 10 more

Residues it binds most

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

Found with

  • PO4 · Phosphate ion
  • GOL · Glycerol

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