Crystal structure of dihydrofolate reductase from homo sapiens bound to NADP and sddc inhibitor sddc-774

Structure

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

Ligands and binding sites

• NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
• GI6 · (2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)-2-methylpropanamide · ligand · chains A
• SO4 · Sulfate ion · ion · 3 copies · chains A
• CL · Chloride ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 2 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

• 5SDA · Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC… · 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 5SDA · PDBe 5SDA · UniProt P00374