› 5mg2

X-ray diffraction
1.75Å resolution

Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe

Released:
DOI: 10.2210/pdb5mg2/pdb
PDB entry 5mg2 coloured by chain, front view.
PDB entry 5mg2 coloured by chain, side view.
PDB entry 5mg2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
Bouché L, Christ CD, Siegel S, Fernández-Montalván AE, Holton SJ, Fedorov O, Ter Laak A, Sugawara T, Stöckigt D, Tallant C, Bennett J, Monteiro O, Díaz-Sáez L, Siejka P, Meier J, Pütter V, Weiske J, Müller S, Huber KVM, Hartung IV, Haendler B
J Med Chem 60 4002-4022 (2017)
PMID: 28402630

Function and Biology Details

Reactions catalysed: 
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149352 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Transcription initiation factor TFIID subunit 1 Chain: A
Molecule details ›
Chain: A
Length: 137 amino acids
Theoretical weight: 15.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P21675 (Residues: 1522-1656; Coverage: 7%)
Gene names: BA2R, CCG1, CCGS, TAF1, TAF2A
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand EDO 3 x EDO
Ligand 7M8 1 x 7M8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P3121
Unit cell:
a: 64.739Å b: 64.739Å c: 101.082Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.188 0.186 0.22
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Bromodomain protein inhibition: a novel therapeutic strategy in rheumatic diseases.
Klein K. (2018)
8 more

1 mention without citation

Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
Bouché et al. (2017)