Structure of the complex between trypanosomal triosephosphate isomerase and N-hydroxy-4-phosphono- butanamide: binding at the active site despite an "open" flexible loop

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

Ligands and binding sites

• 4PB · N-hydroxy-4-phosphono-butanamide · ligand · chains A

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1512 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

• 1TSI · Structure of the complex between trypanosomal triosephosphate isomerase and… · the same entry in another collection · chain A against A, TM-score 1.00
• 4TIM · Crystallographic and molecular modeling studies on trypanosomal triosephosphate… · a predicted model of the same protein · chain A against A, TM-score 1.00
• 4TIM · Crystallographic and molecular modeling studies on trypanosomal triosephosphate… · a predicted model of the same protein · chain A against A, TM-score 1.00
• P04789 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase, glycosomal (P04789) · 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 P04789
• Elsewhere: RCSB PDB 1TSI · PDBe 1TSI · UniProt P04789