Human P70S6K1 with ruthenium-based inhibitor EM5

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 19% strand (DSSP).

Ligands and binding sites

• 3T3 · [(amino-kappaN)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium · ligand · chains A
• STU · Staurosporine · ligand · chains B
• CL · Chloride ion · ion · 6 copies · chains A, B
• SO4 · Sulfate ion · ion · 2 copies · chains A, B
• GOL · Glycerol · additive · 3 copies · chains A, B
• DMS · Dimethyl sulfoxide · additive · chains B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1738 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

• 4RLO · Human p70s6k1 with ruthenium-based inhibitor EM5 · the same entry in another collection · chain A against A, TM-score 1.00
• P23443 · AlphaFold monomer V2.0 prediction for ribosomal protein S6 kinase beta-1 (P23443) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 P23443
• Elsewhere: RCSB PDB 4RLO · PDBe 4RLO · UniProt P23443