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Ligand · S3B

S3B · 3-methyl-2-(propanoyloxy)benzoic acid

S3B, 3-methyl-2-(propanoyloxy)benzoic acid (C11 H12 O4, 208.2 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…

Component
S3B
Formula
C11 H12 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

S3B in 2 structures; the first of them:

  • 3F2P · Thermolysin inhibition · S3B A3000 · binds ASN111, ASN112, ALA113, PHE130, LEU133, VAL139, HIS142, GLU143 and 8 more
  • 3F2P · Thermolysin inhibition · S3B A3000 · binds ASN111, ASN112, ALA113, PHE130, LEU133, VAL139, HIS142, GLU143 and 8 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide

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