› 1wum

Solution NMR

Complex structure of PCAF bromodomain with small chemical ligand NP2

Released:
DOI: 10.2210/pdb1wum/pdb
PDB entry 1wum coloured by chain, front view.
PDB entry 1wum coloured by chain, side view.
PDB entry 1wum coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selective small molecules blocking HIV-1 Tat and coactivator PCAF association.
Zeng L, Li J, Muller M, Yan S, Mujtaba S, Pan C, Wang Z, Zhou MM
J Am Chem Soc 127 2376-7 (2005)
PMID: 15724976

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 domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187769 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histone acetyltransferase KAT2B Chain: A
Molecule details ›
Chain: A
Length: 118 amino acids
Theoretical weight: 14.05 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q92831 (Residues: 719-832; Coverage: 14%)
Gene names: KAT2B, PCAF
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand NP2 1 x NP2
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: distance geometry
Expression system: Escherichia coli BL21(DE3)

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Citations

39 review citations

Epigenetic protein families: a new frontier for drug discovery.
Arrowsmith et al. (2012)
38 more

1 mention without citation

Modulation of epigenetic targets for anticancer therapy: clinicopathological relevance, structural data and drug discovery perspectives.
Andreoli et al. (2013)