1wug

Solution NMR

complex structure of PCAF bromodomain with small chemical ligand NP1

Released:
Source organism: Homo sapiens
Primary publication:
Selective small molecules blocking HIV-1 Tat and coactivator PCAF association.
J. Am. Chem. Soc. 127 2376-7 (2005)
PMID: 15724976

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (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:
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: DISTANCE GEOMETRY, SIMULATED ANNEALING
Chemical shifts: BMR6508  
Expression system: Escherichia coli BL21(DE3)