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

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 54% strand (DSSP).

Ligands and binding sites

• PBU · (2R)-3-{[(R)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy) cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate · ligand · chains A
• SO4 · Sulfate ion · ion · 4 copies · chains A, B
• GOL · Glycerol · additive · 8 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 953 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

• 6FJD · Human KIBRA C2 domain mutant C771A in complex with phosphatidylinositol 4,5-bisphosphate · 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 0.96

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 6FJD · PDBe 6FJD · UniProt Q8IX03