Crystal structure of dihydrofolate reductase from homo sapiens bound to NADP and sddc inhibitor sddc-1190 (racemic mixture)

Structure

x-ray diffraction · 1 distinct chain.

Ligands and binding sites

• NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
• HJI · (2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid · ligand · chains A
• I6J · (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid · ligand · chains A
• SO4 · Sulfate ion · ion · 2 copies · chains A
• CL · Chloride ion · ion · chains A

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

Compared structures

• 5SD8 · 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 5SD8 · PDBe 5SD8 · UniProt P00374