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Ligand · S2T

S2T · (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid

S2T, (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid (C10 H9 Cl O4, 228.6 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 residues it binds most and…

Component
S2T
Formula
C10 H9 Cl O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

S2T in 4 structures; the first of them:

  • 4OB6 · Complex structure of esterase rPPE S159A/W187H and substrate (S)-Ac-CPA · S2T A401 · binds LEU24, LEU36, GLY86, GLY87, GLY88, LEU91, ASN158, ALA159 and 11 more
  • 4OU4 · Crystal structure of esterase rPPE mutant S159A complexed with (S)-Ac-CPA · S2T A401 · binds PRO247, THR275, VAL313, HIS314
  • 4OB6 · Complex structure of esterase rppe S159A/W187H and substrate (S)-ac- cpa · S2T A401 · binds LEU24, LEU36, GLY86, GLY87, GLY88, LEU91, ASN158, ALA159 and 11 more
  • 4OU4 · Crystal structure of esterase rppe mutant S159A complexed with (S)-ac- cpa · S2T A401 · binds PRO247, THR275, VAL313, HIS314

Residues it binds most

LEU 4, VAL 8, PHE 4, GLY 2, HIS 6, MET 4, ALA 4, PRO 4, THR 4, ASN 2 (residue and the binding sites it lines).

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