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Ligand · HVR

HVR · 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol

HVR, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol (C17 H21 N5 O3, 343.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
HVR
Formula
C17 H21 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

HVR in 2 structures; the first of them:

  • 5SD4 · Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to… · HVR A202 · binds ILE5, TRP6, ALA7, ASP19, ILE20, ARG23, ASP27, GLN28 and 8 more
  • 5SD4 · Crystal structure of dihydrofolate reductase from mycobacterium tuberculosis bound to… · HVR A202 · binds ILE5, TRP6, ALA7, ASP19, ILE20, ARG23, ASP27, GLN28 and 6 more

Residues it binds most

ILE 2, ARG 2, ASP 2, THR 2, ALA 2, GLN 2, LEU 2, PHE 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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