› 7k6f

X-ray diffraction
1.86Å resolution

Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid)

Released:
DOI: 10.2210/pdb7k6f/pdb
PDB entry 7k6f coloured by chain, front view.
PDB entry 7k6f coloured by chain, side view.
PDB entry 7k6f 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: 265 amino acids
Theoretical weight: 30.97 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P21675 (Residues: 1394-1656; Coverage: 14%)
Gene names: BA2R, CCG1, CCGS, TAF1, TAF2A
Sequence domains: Bromodomain

Ligands and Environments

4 bound ligands:
Ligand MES 1 x MES
Ligand EDO 3 x EDO
Ligand ACT 2 x ACT
Ligand FMT 2 x FMT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P41212
Unit cell:
a: 80.318Å b: 80.318Å c: 142.357Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.18 0.204
Expression system: Escherichia coli

Quick links

Citations

2 review citations

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