Crebbp bromodomain in complex with CPD10 (1-(3-(7-(difluoromethyl)-6- (1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1- (tetrahydro-2H-pyran-4-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

• 9UD · 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one · ligand · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 260 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

• 5W0L · CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol… · the same entry in another collection · chain A against A, TM-score 1.00
• Q92793 · AlphaFold monomer V2.0 prediction for creb-binding protein (Q92793) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q92793
• Elsewhere: RCSB PDB 5W0L · PDBe 5W0L · UniProt Q92793