Crystal structure of bak core domain BH3-groove-dimer in complex with lysopc

Structure

x-ray diffraction · 2 distinct chains · 85% helix, 0% strand (DSSP).

Ligands and binding sites

• K6G · [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate · ligand · 2 copies · chains A, B
• PGE · Triethylene glycol · additive · 4 copies · chains B
• PG4 · Tetraethylene glycol · additive · chains B

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

Interfaces

1 interface between chains.

• A–B · 1895 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

• 6UXR · Crystal structure of BAK core domain BH3-groove-dimer in complex with LysoPC · the same entry in another collection · chain A against A, TM-score 1.00
• Q16611 · AlphaFold monomer V2.0 prediction for BCL-2 homologous ANTAGONIST/KILLER (Q16611) · a predicted model of the same protein · chain A against A, TM-score 0.71

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 Q16611
• Elsewhere: RCSB PDB 6UXR · PDBe 6UXR · UniProt Q16611