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Ligand · XVE

XVE · Phenylmethyl N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate

XVE, Phenylmethyl N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate (C18 H18 Cl N O3, 331.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
XVE
Formula
C18 H18 Cl N O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

XVE in 4 structures; the first of them:

  • 2XYP · Caspase-3:CAS26049945 · XVE A1175 · binds MET61, HIS121, GLY122, GLU123, PHE128, CYS163, THR166, TYR204 and 1 more
  • 4Q24 · Crystal structure of Cyclo(L-leucyl-L-phenylalanyl) synthase · XVE A301 · binds LEU33, GLY35, ILE36, CYS37, ASN40, VAL67, MET152, ALA155 and 10 more
  • 2XYP · Caspase-3:CAS26049945 · XVE A1175 · binds MET61, HIS121, GLY122, GLU123, PHE128, CYS163, THR166, TYR204 and 1 more
  • 4Q24 · Crystal structure of CYCLO(L-leucyl-L-phenylalanyl) synthase · XVE A301 · binds LEU33, GLY35, ILE36, CYS37, ASN40, VAL67, MET152, ALA155 and 10 more

Residues it binds most

PHE 4, TYR 4, ASN 2, CYS 4, GLU 4, GLY 4, ILE 2, LEU 2, MET 4, THR 4 (residue and the binding sites it lines).

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