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Ligand · 817

817 · 1-{[N-(1-imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene

817, 1-{[N-(1-imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene (C10 H11 F3 N4 S, 276.3 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…

Component
817
Formula
C10 H11 F3 N4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

817 in 2 structures; the first of them:

  • 2ANO · Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the… · 817 A400 · binds ILE5, ALA6, ALA7, MET20, ASP27, TRP30, PHE31, THR46 and 5 more
  • 2ANO · Crystal structure of E.COLI dihydrofolate reductase in complex with NADPH and the… · 817 A400 · binds ILE5, ALA6, ALA7, MET20, ASP27, TRP30, PHE31, THR46 and 5 more

Residues it binds most

ILE 2, ALA 2, THR 2, ASP 2, MET 2, PHE 2, SER 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • MN · Manganese (II) ion

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