› 5lvr

X-ray diffraction
2.05Å resolution

Crystal structure of human PCAF bromodomain in complex with compound-E (CPD-E)

Released:
DOI: 10.2210/pdb5lvr/pdb
PDB entry 5lvr coloured by chain, front view.
PDB entry 5lvr coloured by chain, side view.
PDB entry 5lvr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.
Navratilova I, Aristotelous T, Picaud S, Chaikuad A, Knapp S, Filappakopoulos P, Hopkins AL
ACS Med Chem Lett 7 1213-1218 (2016)
PMID: 27994766

Function and Biology Details

Reactions catalysed: 
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
Acetyl-CoA + an alkane-alpha,omega-diamine = CoA + an N-acetyldiamine
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187770 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histone acetyltransferase KAT2B Chains: A, B
Molecule details ›
Chains: A, B
Length: 119 amino acids
Theoretical weight: 14.17 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q92831 (Residues: 715-831; Coverage: 14%)
Gene names: KAT2B, PCAF
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand EDO 6 x EDO
Ligand 78Y 1 x 78Y
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: R3
Unit cell:
a: 99.659Å b: 99.659Å c: 100.354Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.176 0.175 0.204
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Chemical modulation of transcription factors.
Wiedemann et al. (2018)
6 other articles

1 mention without citation

Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.
Navratilova et al. (2016)