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Ligand · THN

THN · 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methylene-5,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid

THN, 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methylene-5,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid (C14 H14 N2 O5 S2, 354.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
THN
Formula
C14 H14 N2 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

THN in 2 structures; the first of them:

  • 1KVL · X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and… · THN B372 · binds GLY63, GLY64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL211 and 7 more
  • 1KVL · X-ray crystal structure of ampc S64G mutant beta-lactamase in complex with substrate and… · THN B372 · binds GLY63, GLY64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL211 and 7 more

Residues it binds most

GLY 2, ASN 2, LEU 2, TYR 2, ALA 2, GLN 2, LYS 2, THR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CLS · Cephalothin
  • KCP · 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methyl-3,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid
  • PO4 · Phosphate ion

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