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Ligand · GRD

GRD · benzyl (S)-1-((2S,3S)-1-(3-(6-amino-9H-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate

GRD, benzyl (S)-1-((2S,3S)-1-(3-(6-amino-9H-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate (C27 H38 N8 O5, 554.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
GRD
Formula
C27 H38 N8 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

GRD in 2 structures; the first of them:

  • 2R9C · Calpain 1 proteolytic core inactivated by ZLAK-3001, an alpha-ketoamide · GRD A1 · binds GLN109, GLY110, LEU112, GLY113, ASP114, CYS115, TRP116, GLY207 and 9 more
  • 2R9C · Calpain 1 proteolytic core inactivated by zlak-3001, an alpha- ketoamide · GRD A1 · binds GLN109, GLY110, LEU112, GLY113, ASP114, CYS115, TRP116, GLY207 and 9 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • CL · Chloride ion
  • GOL · Glycerol

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