Human dihydrofolate reductase complexed with NADPH and (Z)- 6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-yl)-2,4-diamino-5- METHYLPYRIDO[2,3-D]PYRIMIDINE (sri-9662), a lipophilic antifolate

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 31% strand (DSSP).

Ligands and binding sites

• LII · (Z)-6-(2-[2,5-dimethoxyphenyl]ethen-1-yl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine · ligand · chains A
• NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
• SO4 · Sulfate ion · ion · chains A
• DMS · Dimethyl sulfoxide · additive · 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

• 1KMV · Human dihydrofolate reductase complexed with NADPH and… · 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 1KMV · PDBe 1KMV · UniProt P00374