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Ligand · 4VS

4VS · 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

4VS, 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (C10 H10 N4 O, 202.2 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…

Component
4VS
Formula
C10 H10 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4VS in 2 structures; the first of them:

  • 5BWT · X-ray crystal structure at 2.20A resolution of human mitochondrial branched chain… · 4VS A402 · binds PHE30, PHE75, TYR141, ARG143, TYR173, PHE174, LYS202, GLN224 and 10 more
  • 5BWT · X-ray crystal structure at 2.20A resolution of human mitochondrial branched chain… · 4VS A402 · binds PHE30, PHE75, TYR141, ARG143, TYR173, PHE174, LYS202, GLN224 and 10 more

Residues it binds most

PHE 4, TYR 4, GLY 4, THR 4, ALA 4, ARG 4, CYS 4, GLN 4, LEU 4, MET 4 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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