Bak in complex with bim-H3PC

Structure

x-ray diffraction · 3 distinct chains · 71% helix, 0% strand (DSSP).

Ligands and binding sites

• 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol · ligand · 2 copies · chains C, A, B, D
• NH4 · Ammonium ion · ion · chains B, D

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

Pockets

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

Interfaces

6 interfaces between chains.

• A–B · 1315 Ų buried · 26 hydrogen bonds · protein-protein
• C–D · 1314 Ų buried · 23 hydrogen bonds · protein-protein
• A–C · 619 Ų buried · 9 hydrogen bonds · protein-protein
• B–C · 258 Ų buried · 2 hydrogen bonds · protein-protein
• A–D · 205 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

• 5VWZ · Bak in complex with Bim-h3Pc · the same entry in another collection · chain D against D, 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 C against A, TM-score 0.94
• O43521 · AlphaFold monomer V2.0 prediction for BCL-2-like protein 11 (O43521) · a predicted model of the same protein · chain D against A, TM-score 0.81

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
• Every structure of UniProt O43521
• Elsewhere: RCSB PDB 5VWZ · PDBe 5VWZ · UniProt Q16611 · UniProt O43521