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Ligand · 2UB

2UB · (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid

2UB, (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid (C9 H7 Cl O2 S, 214.7 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 residues it binds most and the…

Component
2UB
Formula
C9 H7 Cl O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2UB in 2 structures; the first of them:

  • 4PHK · The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl… · 2UB A301 · binds VAL127, VAL128, HIS131, LEU134, TRP168, ILE171, LYS172, GLN175 and 1 more
  • 4PHK · The structural basis of differential inhibition of human calpain by indole and phenyl… · 2UB A301 · binds VAL127, VAL128, HIS131, LEU134, TRP168, ILE171, LYS172, GLN175 and 1 more

Residues it binds most

VAL 4, GLN 4, HIS 4, ILE 4, LYS 4, PHE 4, TRP 4, ARG 2, LEU 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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