› 4nyw

X-ray diffraction
1.43Å resolution

Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand

Released:
DOI: 10.2210/pdb4nyw/pdb
PDB entry 4nyw coloured by chain, front view.
PDB entry 4nyw coloured by chain, side view.
PDB entry 4nyw coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Filippakopoulos P, Picaud S, Felletar I, Rooney TPC, Fedorov O, Martin S, Monteiro OP, Conway SJ, von Delft F, Brennan P, Arrowsmith CH, Edwards AM, Bountra C, Knapp S, Structural Genomics Consortium (SGC)

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: 119 amino acids
Theoretical weight: 14.22 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q92793 (Residues: 1081-1197; Coverage: 5%)
Gene names: CBP, CREBBP
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand SCN 1 x SCN
Ligand 2O3 1 x 2O3
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 34.966Å b: 49.917Å c: 80.16Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.162 0.187
Expression system: Escherichia coli BL21(DE3)

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