Candida albicans dihydrofolate reductase complexed with dihydro- nicotinamide-adenine-dinucleotide phosphate (NADPH) and 7-[2-methoxy- 1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] quinazoline-1,3-diamine (GW557)

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 35% strand (DSSP).

Ligands and binding sites

• NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
• MQU · 7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-F] quinazoline-1,3-diamine · ligand · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 503 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

• 1M7A · CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH… · the same entry in another collection · chain A against A, TM-score 1.00
• P22906 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P22906) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P22906
• Elsewhere: RCSB PDB 1M7A · PDBe 1M7A · UniProt P22906