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Ligand · 61L

61L · 4-methyl-2-{[2-methyl-6-(methylsulfanyl) phenyl]amino}benzoic acid

61L, 4-methyl-2-{[2-methyl-6-(methylsulfanyl) phenyl]amino}benzoic acid (C16 H17 N O2 S, 287.4 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…

Component
61L
Formula
C16 H17 N O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

61L in 2 structures; the first of them:

  • 4ZOJ · Methylsulfanyl-containing inhibitor bound in the active site of Mycobacterium… · 61L A403 · binds MET86, VAL106, GLY107, THR108, HIS136, GLY137, ASN138, ALA179 and 9 more
  • 4ZOJ · Methylsulfanyl-containing inhibitor bound in the active site of mycobacterium… · 61L A403 · binds MET86, VAL106, GLY107, THR108, HIS136, GLY137, ASN138, ALA179 and 9 more

Residues it binds most

GLY 4, ALA 4, ASN 4, HIS 4, THR 4, MET 4, PRO 4, TYR 4, VAL 4, ARG 2 (residue and the binding sites it lines).

Found with

  • PRP · 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose
  • MG · Magnesium ion
  • PO4 · Phosphate ion
  • IMD · Imidazole

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