Pantothenate kinase from mycobacterium tuberculosis (mtpank) in complex with a coenzyme a derivative, form-II (lt)

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).

Ligands and binding sites

• COK · [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)dithio]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate · ligand · chains A
• GOL · Glycerol · additive · 6 copies · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

• 2GEV · Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A… · the same entry in another collection · chain A against A, TM-score 1.00

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 P63810
• Elsewhere: RCSB PDB 2GEV · PDBe 2GEV · UniProt P63810