The C2B domain of rabphilin 3A in complex with PI(4,5)P2

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 42% strand (DSSP).

Ligands and binding sites

• PIO · [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2, 3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate · ligand · 2 copies · chains A, B
• CA · Calcium ion · metal · 4 copies · chains A, B
• SO4 · Sulfate ion · ion · chains A
• GOL · Glycerol · additive · 7 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 · 279 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 5LO8 · The C2B domain of Rabphilin 3A in complex with PI(4,5)P2 · the same entry in another collection · chain A against A, TM-score 1.00
• P47709 · AlphaFold monomer V2.0 prediction for rabphilin-3A (P47709) · a predicted model of the same protein · chain B against A, TM-score 0.97

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 P47709
• Elsewhere: RCSB PDB 5LO8 · PDBe 5LO8 · UniProt P47709