› 6alb

X-ray diffraction
2.05Å resolution

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)

Released:
DOI: 10.2210/pdb6alb/pdb
PDB entry 6alb coloured by chain, front view.
PDB entry 6alb coloured by chain, side view.
PDB entry 6alb coloured by chain, top view.
Source organism: Homo sapiens
Entry author: Murray JM

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187751 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
CREB-binding protein Chain: A
Molecule details ›
Chain: A
Length: 233 amino acids
Theoretical weight: 27.52 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q92793 (Residues: 1081-1312; Coverage: 10%)
Gene names: CBP, CREBBP
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand ZN 3 x ZN
Ligand B3P 1 x B3P
Ligand BKJ 1 x BKJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: C2
Unit cell:
a: 92.004Å b: 60.635Å c: 53.835Å
α: 90° β: 102.69° γ: 90°
R-values:
R R work R free
0.222 0.221 0.242
Expression system: Escherichia coli

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