› 7p4s

X-ray diffraction
2.17Å resolution

BROMODOMAIN OF HUMAN TAF1 (2) WITH naphthyridinone compound

Released:
DOI: 10.2210/pdb7p4s/pdb
PDB entry 7p4s coloured by chain, front view.
PDB entry 7p4s coloured by chain, side view.
PDB entry 7p4s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimization of Naphthyridones into Selective TATA-Binding Protein Associated Factor 1 (TAF1) Bromodomain Inhibitors.
Clegg MA, Theodoulou NH, Bamborough P, Chung CW, Craggs PD, Demont EH, Gordon LJ, Liwicki GM, Phillipou A, Tomkinson NCO, Prinjha RK, Humphreys PG
ACS Med Chem Lett 12 1308-1317 (2021)
PMID: 34413961

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: 15.85 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

Ligands and Environments

1 bound ligand:
Ligand 5LV 2 x 5LV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P21212
Unit cell:
a: 54.651Å b: 56.007Å c: 58.308Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.202 0.274
Expression system: Escherichia coli

Quick links

Citations

1 review citation

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

1 mention without citation

Optimization of Naphthyridones into Selective TATA-Binding Protein Associated Factor 1 (TAF1) Bromodomain Inhibitors.
Clegg et al. (2021)