Crystal structure of RAD4 BRCT1,2 in complex with a CRB2 phosphopeptide

Structure

x-ray diffraction · 3 distinct chains · 36% helix, 18% strand (DSSP).

Ligands and binding sites

• PO4 · Phosphate ion · ion · 2 copies · chains A, D, B, C
• EDO · 1,2-ethanediol · additive · 11 copies · chains A, C, B
• GOL · Glycerol · additive · 2 copies · chains A, B
• 1PE · Pentaethylene glycol · additive · 2 copies · chains A, C, B, D

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

Pockets

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

Interfaces

5 interfaces between chains.

• A–C · 564 Ų buried · 10 hydrogen bonds · protein-protein
• B–D · 556 Ų buried · 10 hydrogen bonds · protein-protein
• A–B · 359 Ų buried · 6 hydrogen bonds · protein-protein
• A–D · 264 Ų buried · 3 hydrogen bonds · protein-protein
• B–C · 259 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

• 4BU1 · Crystal structure of Rad4 BRCT1,2 in complex with a Crb2 phosphopeptide · the same entry in another collection · chain A against A, TM-score 1.00
• P32372 · AlphaFold monomer V2.0 prediction for S-M checkpoint control protein RAD4 (P32372) · a predicted model of the same protein · chain A against A, TM-score 0.99
• P87074 · AlphaFold monomer V2.0 prediction for DNA repair protein CRB2 (P87074) · a predicted model of the same protein · chain C against A, TM-score 0.33

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 P32372
• Every structure of UniProt P87074
• Elsewhere: RCSB PDB 4BU1 · PDBe 4BU1 · UniProt P32372 · UniProt P87074