Crystal structure of the catalytic domain of the inosine monophosphate dehydrogenase from mycobacterium tuberculosis in the complex with imp and the inhibitor MAD1

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).

Ligands and binding sites

• IMP · Inosinic acid · ligand · chains A
• KP3 · 5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine · ligand · chains A
• K · Potassium ion · metal · chains A
• PO4 · Phosphate ion · ion · chains A
• GOL · Glycerol · additive · chains A
• PGO · S-1,2-propanediol · additive · chains A

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

Pockets

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

Compared structures

• 4ZQP · 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 0.99

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 P9WKI7
• Elsewhere: RCSB PDB 4ZQP · PDBe 4ZQP · UniProt P9WKI7