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Ligand · VS3

VS3 · 3-[N-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid 4-nitro-phenyl ester

VS3, 3-[N-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid 4-nitro-phenyl ester (C34 H35 N3 O8 S, 645.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
VS3
Formula
C34 H35 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VS3 in 2 structures; the first of them:

  • 1F2B · Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (III) · VS3 A300 · binds GLN19, GLY23, CYS25, TRP26, THR59, ASP60, SER61, CYS63 and 16 more
  • 1F2B · Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (III) · VS3 A300 · binds GLN19, GLY23, CYS25, TRP26, THR59, ASP60, SER61, CYS63 and 16 more

Residues it binds most

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

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