Crystal structure of human dihydrofolate reductase as complex with pyridopyrimidine 22 (N~6~-methyl-N~6~-[4-(propan-2-yl) PHENYL]PYRIDO[2,3-D]PYRIMIDINE-2,4,6-triamine)

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 34% strand (DSSP).

Ligands and binding sites

• NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
• IXF · N~6~-methyl-N~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine · ligand · chains A
• SO4 · Sulfate ion · ion · 6 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 4QHV · Crystal structure of human dihydrofolate reductase as complex with pyridopyrimidine 22… · the same entry in another collection · chain A against A, TM-score 1.00
• P00374 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P00374) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P00374
• Elsewhere: RCSB PDB 4QHV · PDBe 4QHV · UniProt P00374