Kstr, transcriptional repressor of cholesterol degradation in mycobacterium tuberculosis, bound to the cholesterol coenzyme a derivative, (25S)-3-oxocholest-4-en-26-oyl-CoA.

Structure

x-ray diffraction · 2 distinct chains · 82% helix, 0% strand (DSSP).

Ligands and binding sites

• 5JB · (25S)-3-oxocholest-4-en-26-oyl-CoA · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · chains B
• MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A, B
• GOL · Glycerol · additive

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1244 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

• 5AQC · KstR, transcriptional repressor of cholesterol degradation in Mycobacterium tuberculosis… · the same entry in another collection · chain A against A, TM-score 1.00
• P96856 · AlphaFold monomer V2.0 prediction for hth-type transcriptional repressor kstr (P96856) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 P96856
• Elsewhere: RCSB PDB 5AQC · PDBe 5AQC · UniProt P96856