Crystal structure of the catalytic domain of the inosine monophosphate dehydrogenase from mycobacterium tuberculosis in the presence of G36

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).

Ligands and binding sites

• IMP · Inosinic acid · ligand · chains A
• 8KV · N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea · ligand · chains A
• FMT · Formic acid · additive · 3 copies · chains A
• EDO · 1,2-ethanediol · additive · 3 copies · 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, 2 with a druggability of 0.5 or more.

Compared structures

• 5UPV · Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from… · the same entry in another collection · chain A against A, TM-score 1.00
• P9WKI7 · AlphaFold monomer V2.0 prediction for inosine-5'-monophosphate dehydrogenase (P9WKI7) · 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 P9WKI7
• Elsewhere: RCSB PDB 5UPV · PDBe 5UPV · UniProt P9WKI7