› 7jjg

X-ray diffraction
1.6Å resolution

Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZ20

Released:
DOI: 10.2210/pdb7jjg/pdb
PDB entry 7jjg coloured by chain, front view.
PDB entry 7jjg coloured by chain, side view.
PDB entry 7jjg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
Karim RM, Yang L, Chen L, Bikowitz MJ, Lu J, Grassie D, Shultz ZP, Lopchuk JM, Chen J, Schönbrunn E
J Med Chem 65 4182-4200 (2022)
PMID: 35191694

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 BL21(DE3)
UniProt:
  • Canonical: P21675 (Residues: 1522-1656; Coverage: 7%)
Gene names: BA2R, CCG1, CCGS, TAF1, TAF2A
Sequence domains: Bromodomain

Ligands and Environments

3 bound ligands:
Ligand VCD 1 x VCD
Ligand EDO 1 x EDO
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P212121
Unit cell:
a: 46.74Å b: 57.47Å c: 59.31Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.169 0.195
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Bromodomain inhibitors and therapeutic applications.
Gajjela et al. (2023)
1 more