Human gkrp bound to amg-0771 and sorbitol-6-phosphate

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 11% strand (DSSP).

Ligands and binding sites

• 2TF · (2S)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol · ligand · 2 copies · chains A, B
• S6P · D-sorbitol-6-phosphate · ligand · 2 copies · chains A, B
• IOD · Iodide ion · ion · 24 copies · chains A, B
• SO4 · Sulfate ion · ion · 3 copies · chains B
• GOL · Glycerol · additive · chains B

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

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 650 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

• 4OHM · Human GKRP bound to AMG-0771 and sorbitol-6-phosphate · the same entry in another collection · chain B against B, TM-score 1.00
• Q14397 · AlphaFold monomer V2.0 prediction for glucokinase regulatory protein (Q14397) · 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 Q14397
• Elsewhere: RCSB PDB 4OHM · PDBe 4OHM · UniProt Q14397