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Ligand · M3S

M3S · 2-(acetyloxy)-3-methylbenzoic acid

M3S, 2-(acetyloxy)-3-methylbenzoic acid (C10 H10 O4, 194.2 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
M3S
Formula
C10 H10 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

M3S in 2 structures; the first of them:

  • 3FCQ · Thermolysin inhibition · M3S A600 · binds ASN111, ASN112, ALA113, PHE130, LEU133, VAL139, HIS142, GLU143 and 7 more
  • 3FCQ · Thermolysin inhibition · M3S A600 · binds ASN111, ASN112, ALA113, PHE130, LEU133, VAL139, HIS142, GLU143 and 7 more

Residues it binds most

HIS 2, ASN 2, GLU 2, LEU 2, ALA 2, ARG 2, ILE 2, PHE 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion

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