Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with [(2-((guanine-9H-YL)METHYL)PROPANE-1,3 DIYL)BIS(OXY) ]BIS(METHYLENE))DIPHOSPHONIC acid

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 29% strand (DSSP).

Ligands and binding sites

• SV2 · [{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) · ligand · 2 copies · chains A, B
• MG · Magnesium ion · metal · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · chains A
• PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1605 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

• 6APS · 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 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 Q07010
• Elsewhere: RCSB PDB 6APS · PDBe 6APS · UniProt Q07010