Crebbp bromodomain in complex with cpd 30 (1-(3-(3-(1-methyl-1H- pyrazol-4-YL)ISOQUINOLIN-8-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 · 39% helix, 11% strand (DSSP).

Ligands and binding sites

• BKJ · 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one · ligand · chains A
• ZN · Zinc ion · metal · 3 copies · chains A
• B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

Compared structures

• 6ALB · CREBBP bromodomain in complex with Cpd 30 (1-(3-(3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8… · 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 A against A, TM-score 0.87

Analyse

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• Every structure of UniProt Q92793
• Elsewhere: RCSB PDB 6ALB · PDBe 6ALB · UniProt Q92793