Crebbp bromodomain in complex with CPD16 (5-(7-(difluoromethyl)-6-(1- methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H- indole-3-carboxamide)

Structure

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

Ligands and binding sites

• C3J · 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide · ligand · 2 copies · chains A, B
• NA · Sodium ion · metal · chains A
• EDO · 1,2-ethanediol · additive · 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, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 572 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

• 6AY3 · CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-y… · 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 6AY3 · PDBe 6AY3 · UniProt Q92793