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Ligand · R99

R99 · N-[3-carboxy-2-hydroxy-propionyl]-D-homophenylalanyl-amino-2-methylbutane

R99, N-[3-carboxy-2-hydroxy-propionyl]-D-homophenylalanyl-amino-2-methylbutane (C19 H28 N2 O5, 364.4 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, the…

Component
R99
Formula
C19 H28 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

R99 in 2 structures; the first of them:

  • 1EWL · Crystal structure of cruzain bound to wrr-99 · R99 A280 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, SER61, SER64 and 10 more
  • 1EWL · Crystal structure of cruzain bound to wrr-99 · R99 A280 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, SER61, SER64 and 10 more

Residues it binds most

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

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