› 6alc

X-ray diffraction
1.39Å resolution

CREBBP bromodomain in complex with Cpd 4 (1-(1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)

Released:
DOI: 10.2210/pdb6alc/pdb
PDB entry 6alc coloured by chain, front view.
PDB entry 6alc coloured by chain, side view.
PDB entry 6alc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and synthesis of a biaryl series as inhibitors for the bromodomains of CBP/P300.
Lai KW, Romero FA, Tsui V, Beresini MH, de Leon Boenig G, Bronner SM, Chen K, Chen Z, Choo EF, Crawford TD, Cyr P, Kaufman S, Li Y, Liao J, Liu W, Ly J, Murray J, Shen W, Wai J, Wang F, Zhu C, Zhu X, Magnuson S
Bioorg Med Chem Lett 28 15-23 (2018)
PMID: 29169673

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 114 amino acids
Theoretical weight: 13.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q92793 (Residues: 1085-1196; Coverage: 5%)
Gene names: CBP, CREBBP
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand DMS 1 x DMS
Ligand EDO 1 x EDO
Ligand BKD 1 x BKD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: R3
Unit cell:
a: 124.924Å b: 124.924Å c: 40.241Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.189 0.212
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Modulating the masters: chemical tools to dissect CBP and p300 function.
Breen et al. (2018)
1 more