Structure of ketosteroid transcriptional regulator KSTR2 of mycobacterium tuberculosis

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 1% strand (DSSP).

Ligands and binding sites

• UCA · S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate · ligand · chains A
• CL · Chloride ion · ion · 4 copies · 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.

Compared structures

• 4W97 · Structure of ketosteroid transcriptional regulator KstR2 of Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
• P9WMB9 · AlphaFold monomer V2.0 prediction for hth-type transcriptional repressor KSTR2 (P9WMB9) · 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 P9WMB9
• Elsewhere: RCSB PDB 4W97 · PDBe 4W97 · UniProt P9WMB9