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Ligand · TRR

TRR · 2,4-diamino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-1-ium

TRR, 2,4-diamino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-1-ium (C14 H19 N4 O3 +1, 291.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
TRR
Formula
C14 H19 N4 O3 +1
Class
ligand
Structures
6
PDB entries
3

Binding sites

TRR in 6 structures; the first of them:

  • 1LUD · Solution structure of dihydrofolate reductase complexed with trimethoprim and NADPH, 24… · TRR A170 · binds LEU4, TRP5, ALA6, GLY17, HIS18, LEU19, ASP26, LEU27 and 6 more
  • 1YHO · Solution structure of human dihydrofolate reductase complexed with trimethoprim and… · TRR A200 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, GLN35 and 6 more
  • 2HM9 · Solution structure of dihydrofolate reductase complexed with trimethoprim, 33 structures · TRR A170 · binds LEU4, TRP5, ALA6, GLY17, HIS18, LEU19, ASP26, LEU27 and 6 more
  • 1LUD · Solution structure of dihydrofolate reductase complexed with trimethoprim and NADPH, 24… · TRR A170 · binds LEU4, TRP5, ALA6, GLY17, HIS18, LEU19, ASP26, LEU27 and 6 more
  • 1YHO · Solution structure of human dihydrofolate reductase complexed with trimethoprim and… · TRR A200 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, GLN35 and 6 more
  • 2HM9 · Solution structure of dihydrofolate reductase complexed with trimethoprim, 33 structures · TRR A170 · binds LEU4, TRP5, ALA6, GLY17, HIS18, LEU19, ASP26, LEU27 and 6 more

Residues it binds most

LEU 6, ALA 6, PHE 6, THR 6, GLY 6, PRO 6, ASP 4, HIS 4, ILE 2, TRP 4 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate

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