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Ligand · FRW

FRW · 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid

FRW, 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid (C24 H30 F3 N3 O6, 513.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records…

Component
FRW
Formula
C24 H30 F3 N3 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

FRW in 4 structures; the first of them:

  • 3HGN · Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor… · FRW A246 · binds THR41, CYS42, HIS57, ASP97, VAL99, ALA99A, TRP172, THR175 and 11 more
  • 3HGP · Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor… · FRW A246 · binds THR41, CYS42, HIS57, CYS58, VAL99, ALA99A, TRP172, THR175 and 11 more
  • 3HGN · Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor… · FRW A246 · binds THR41, CYS42, HIS57, ASP97, VAL99, ALA99A, TRP172, THR175 and 11 more
  • 3HGP · Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor… · FRW A246 · binds THR41, CYS42, HIS57, CYS58, VAL99, ALA99A, TRP172, THR175 and 11 more

Residues it binds most

SER 4, THR 4, CYS 4, VAL 4, ASP 4, ALA 4, ARG 4, GLN 4, GLY 4, HIS 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion

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