Human serum and glucocorticoid-regulated kinase 1 in complex with pyrazolopyridine inhibitor 3A

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 16% strand (DSSP).

Ligands and binding sites

• 86H · 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide · ligand · chains A
• GOL · Glycerol · additive · 2 copies · 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.

Compared structures

• 7PUE · Human serum and glucocorticoid-regulated kinase 1 in complex with pyrazolopyridine… · the same entry in another collection · chain A against A, TM-score 1.00
• O00141 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase SGK1 (O00141) · a predicted model of the same protein · chain A against A, TM-score 0.91

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 O00141
• Elsewhere: RCSB PDB 7PUE · PDBe 7PUE · UniProt O00141