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Ligand · A8C

A8C · 3-(methylsulfanyl)propanoic acid

A8C, 3-(methylsulfanyl)propanoic acid (C4 H8 O2 S, 120.2 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 ligands found…

Component
A8C
Formula
C4 H8 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

A8C in 2 structures; the first of them:

  • 6IJB · Structure of 3-methylmercaptopropionate CoA ligase mutant K523A in complex with AMP and… · A8C B603 · binds HIS231, VAL232, TRP235, GLY303, ALA325, TRP326, GLY327, MET328 and 3 more
  • 6IJB · Structure of 3-methylmercaptopropionate CoA ligase mutant K523A in complex with AMP and… · A8C B603 · binds HIS231, VAL232, TRP235, GLY303, ALA325, TRP326, GLY327, MET328 and 3 more

Residues it binds most

GLY 2, TRP 2, ALA 2, HIS 2, LEU 2, MET 2, PRO 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • AMP · Adenosine monophosphate
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol

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