Human kibra C2 domain mutant C771A in complex with phosphatidylinositol 3,4,5-trisphosphate

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 53% strand (DSSP).

Ligands and binding sites

• 4PT · (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy) phosphoryl]oxy}-2-(1-hydroxybutoxy)propyl butyrate · ligand · chains A
• SO4 · Sulfate ion · ion · chains A, B
• GOL · Glycerol · additive · 15 copies · chains A, B

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.

Interfaces

1 interface between chains.

• A–B · 923 Ų buried · 24 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

• 6FJC · Human KIBRA C2 domain mutant C771A in complex with phosphatidylinositol… · the same entry in another collection · chain A against A, TM-score 1.00
• Q8IX03 · AlphaFold monomer V2.0 prediction for protein kibra (Q8IX03) · a predicted model of the same protein · chain B against A, TM-score 0.95

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 Q8IX03
• Elsewhere: RCSB PDB 6FJC · PDBe 6FJC · UniProt Q8IX03