Crystal structure of BCL-2-related protein A1 in complex with stapled peptide (AQ7)T(0EH)LRRFGD(MK8)INFRQ(NH2)

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).

Ligands and binding sites

• 0EH · (2R)-2-amino-2-methylnonanoic acid · ligand · chains A, B
• CL · Chloride ion · ion · chains A, B

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

Interfaces

1 interface between chains.

• A–B · 762 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 covalent, 2 modified (covalent ligand, nonstandard).

Compared structures

• 5WHH · Crystal Structure of Bcl-2-related protein A1 in complex with stapled peptide… · the same entry in another collection · chain A against A, TM-score 1.00
• Q16548 · AlphaFold monomer V2.0 prediction for BCL-2-related protein A1 (Q16548) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q16548
• Elsewhere: RCSB PDB 5WHH · PDBe 5WHH · UniProt Q16548