Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl) propane-1,2-DIYL]BIS(OXYETHANE-2,1-DIYL)}BIS(PHOSPHONIC acid)

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 31% strand (DSSP).

Ligands and binding sites

• 45T · {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl) propane-1,2-diyl]bis(oxyethane-2,1-diyl) }bis(phosphonic acid) · ligand · 2 copies · chains A, B
• PEG · Di(hydroxyethyl)ether · additive · 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, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 465 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

• 6APT · Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• Q07010 · AlphaFold monomer V2.0 prediction for hypoxanthine-guanine phosphoribosyltransferase… · 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 Q07010
• Elsewhere: RCSB PDB 6APT · PDBe 6APT · UniProt Q07010