Human gar tfase complex structure with 10-(trifluoroacetyl)- 5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).

Ligands and binding sites

• KEU · N-{4-[(1R)-4-[(2R,4R,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]benzoyl}-D-glutamic acid · ligand · 4 copies · chains A, B, C, D
• PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Interfaces

4 interfaces between chains.

• A–D · 779 Ų buried · 9 hydrogen bonds · protein-protein
• A–C · 417 Ų buried · 6 hydrogen bonds · protein-protein
• B–C · 299 Ų buried · 3 hydrogen bonds · protein-protein
• A–B · 269 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

• 1RBQ · Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-te… · the same entry in another collection · chain A against A, TM-score 1.00
• P22102 · AlphaFold monomer V2.0 prediction for trifunctional purine biosynthetic protein… · a predicted model of the same protein · chain A 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 P22102
• Elsewhere: RCSB PDB 1RBQ · PDBe 1RBQ · UniProt P22102