Crystal structure of mycobacterium smegmatis MUTT1 in complex with 8- oxo-GDP, 8-oxo-gmp and pyrophosphate

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 33% strand (DSSP).

Ligands and binding sites

• G8D · [(2R,3S,4R,5R)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate · ligand · chains A
• 8GM · [(2R,3S,4R,5R)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate · ligand · chains A
• POP · Pyrophosphate 2- · ligand · chains A
• MG · Magnesium ion · metal · 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, 1 with a druggability of 0.5 or more.

Compared structures

• 5GGA · Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-GDP, 8-oxo-GMP… · the same entry in another collection · chain A against A, TM-score 1.00
• A0QUZ2 · AlphaFold monomer V2.0 prediction for 8-oxo-(D)GTP phosphatase (A0QUZ2) · 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 A0QUZ2
• Elsewhere: RCSB PDB 5GGA · PDBe 5GGA · UniProt A0QUZ2