Crystal structure of S6K1 kinase domain in complex with a quinoline derivative 1-oxo-1-[(4-SULFAMOYLPHENYL)AMINO]PROPAN-2-yl-2-methyl-1, 2,3,4-tetrahydroacridine-9-carboxylate

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 16% strand (DSSP).

Ligands and binding sites

• FS7 · (2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate · ligand · chains A
• ZN · Zinc ion · metal · chains A
• GOL · Glycerol · additive · 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.

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

• 3WF9 · Crystal structure of S6K1 kinase domain in complex with a quinoline derivative… · 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 3WF9 · PDBe 3WF9 · UniProt P23443