Crystal structure of BRD2(BD2) W370F mutant with ligand I-bet 762 bound

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 0% strand (DSSP).

Ligands and binding sites

• EAM · 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide · ligand · chains A
• NI · Nickel (II) ion · metal · chains A
• GOL · Glycerol · additive · chains A
• 2PE · Nonaethylene glycol · additive · 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.

Compared structures

• 5DFC · Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound · the same entry in another collection · chain A against A, TM-score 1.00
• P25440 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 2 (P25440) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P25440
• Elsewhere: RCSB PDB 5DFC · PDBe 5DFC · UniProt P25440