› 4whw

X-ray diffraction
1.34Å resolution

Direct photocapture of bromodomains using tropolone chemical probes

Released:
DOI: 10.2210/pdb4whw/pdb
PDB entry 4whw coloured by chain, front view.
PDB entry 4whw coloured by chain, side view.
PDB entry 4whw coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Hett EC, Piatnitski Chekler EL, Basak A, Bonin PD, Denny RA, Flick AC, Geoghegan KF, Liu S, Pletcher MT, Robinson RP, Sahasrabudhe P, Salter S, Stock IA, Jones LH

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130112 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 4 Chain: A
Molecule details ›
Chain: A
Length: 127 amino acids
Theoretical weight: 15.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 44-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 39.83Å b: 50.591Å c: 57.468Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.18 0.201
Expression system: Escherichia coli

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