The crystal structure of the binary complex between folinic acid (leucovorin) and E. COLI dihydrofolate reductase

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 30% strand (DSSP).

Ligands and binding sites

• FFO · N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid · ligand · chains A
• CA · Calcium ion · metal · chains A
• CL · Chloride ion · ion · chains A
• EOH · Ethanol · additive · 3 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

• 1JOM · The crystal structure of the binary complex between folinic acid (leucovorin) and E. COLI… · the same entry in another collection · chain A against A, TM-score 1.00
• P0ABQ4 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P0ABQ4) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P0ABQ4
• Elsewhere: RCSB PDB 1JOM · PDBe 1JOM · UniProt P0ABQ4