Crystal structure of the mycobacterium tuberculosis pasta kinase pknb in complex with the potential theraputic kinase inhibitor GSK690693.

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).

Ligands and binding sites

• G93 · 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3-yn-2-ol · ligand · chains A
• MG · Magnesium ion · metal · chains A
• GOL · Glycerol · additive · 8 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 5U94 · Crystal structure of the Mycobacterium tuberculosis PASTA kinase PknB in complex with the… · the same entry in another collection · chain A against A, TM-score 1.00
• P9WI81 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pknb (P9WI81) · 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 P9WI81
• Elsewhere: RCSB PDB 5U94 · PDBe 5U94 · UniProt P9WI81