› 4nr4

X-ray diffraction
1.69Å resolution

Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand

Released:
DOI: 10.2210/pdb4nr4/pdb
PDB entry 4nr4 coloured by chain, front view.
PDB entry 4nr4 coloured by chain, side view.
PDB entry 4nr4 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Filippakopoulos P, Picaud S, Felletar I, Hay D, Fedorov O, Martin S, 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 Chains: A, B
Molecule details ›
Chains: A, B
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 2LK 3 x 2LK
Ligand EDO 2 x EDO
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 52.87Å b: 57.11Å c: 82.84Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.156 0.155 0.192
Expression system: Escherichia coli BL21(DE3)

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