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Ligand · 3KH

3KH · 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine

3KH, 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine (C8 H6 N6 S, 218.2 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…

Component
3KH
Formula
C8 H6 N6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3KH in 2 structures; the first of them:

  • 4WCD · Trypanosoma brucei PTR1 in complex with inhibitor 10 · 3KH A302 · binds ARG14, SER95, PHE97, CYS168, TYR174, GLY205, VAL206, LEU208 and 3 more
  • 4WCD · Trypanosoma brucei PTR1 in complex with inhibitor 10 · 3KH A302 · binds ARG14, SER95, PHE97, CYS168, TYR174, GLY205, VAL206, LEU208 and 3 more

Residues it binds most

LEU 6, ARG 6, GLY 6, PHE 6, PRO 6, SER 6, TRP 6, TYR 6, VAL 6, CYS 4 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • ACT · Acetate ion
  • GOL · Glycerol

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