Crystal structure of the bir domain of mliap bound to GDC0152

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 10% strand (DSSP).

Ligands and binding sites

• 0DQ · 4-phenyl-1,2,3-thiadiazol-5-amine · ligand · 2 copies · chains A, Z, B, Y
• ZN · Zinc ion · metal · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 2 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

3 interfaces between chains.

• A–B · 362 Ų buried · 1 hydrogen bond · protein-protein
• A–Z · 274 Ų buried · 7 hydrogen bonds · protein-protein
• B–Y · 253 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified, 2 covalent (nonstandard, covalent ligand).

Compared structures

• 3UW5 · Crystal structure of the BIR domain of MLIAP bound to GDC0152 · the same entry in another collection · chain A against A, TM-score 1.00
• Q96CA5 · AlphaFold monomer V2.0 prediction for baculoviral iap repeat- containing protein 7… · 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 Q96CA5
• Every structure of UniProt P98170
• Elsewhere: RCSB PDB 3UW5 · PDBe 3UW5 · UniProt Q96CA5 · UniProt P98170