Crebbp bromodomain in complex with CPD8 (1-(3-(7-(difluoromethyl)-6- (1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1- (tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-PYRAZOLO[4,3-C]PYRIDIN- 5-YL)ETHAN-1-one)

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).

Ligands and binding sites

• 9UA · 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1, 4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one · ligand · chains A
• DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
• GOL · Glycerol · 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

• 5W0I · CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4… · the same entry in another collection · chain A against A, TM-score 1.00
• P45481 · AlphaFold monomer V2.0 prediction for histone lysine acetyltransferase crebbp (P45481) · a predicted model of the same protein · chain A 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 P45481
• Elsewhere: RCSB PDB 5W0I · PDBe 5W0I · UniProt P45481