Crystal structure of alpha-beta-foldamer 2C in complex with BCL-xl

Structure

x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · chains A, B
• CL · Chloride ion · ion · 2 copies · chains A
• NH2 · Amino group · ion · chains B
• SO4 · Sulfate ion · ion · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1020 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 modified, 1 covalent (nonstandard, covalent ligand).

Compared structures

• 4A1U · Crystal structure of alpha-beta-foldamer 2c in complex with Bcl-xL · the same entry in another collection · chain A against A, TM-score 1.00
• Q07817 · AlphaFold monomer V2.0 prediction for BCL-2-like protein 1 (Q07817) · a predicted model of the same protein · chain A against A, TM-score 0.76

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 Q07817
• Elsewhere: RCSB PDB 4A1U · PDBe 4A1U · UniProt Q07817