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Ligand · 4VT

4VT · 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

4VT, 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (C14 H10 N4 O, 250.3 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 residues…

Component
4VT
Formula
C14 H10 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4VT in 2 structures; the first of them:

  • 5BWR · X-ray crystal structure at 2.20A resolution of human mitochondrial branched chain… · 4VT A402 · binds PHE30, PHE75, TYR141, ARG143, LYS202, TYR207, GLN224, THR240 and 7 more
  • 5BWR · X-ray crystal structure at 2.20A resolution of human mitochondrial branched chain… · 4VT A402 · binds PHE30, PHE75, TYR141, ARG143, LYS202, TYR207, GLN224, THR240 and 7 more

Residues it binds most

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

Found with

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

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