› 4ioo

X-ray diffraction
1.25Å resolution

Crystal Structure of the first bromodomain of BRD4 in complex with N-methyltrimethylacetamide

Released:
DOI: 10.2210/pdb4ioo/pdb
PDB entry 4ioo coloured by chain, front view.
PDB entry 4ioo coloured by chain, side view.
PDB entry 4ioo coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Different orientations of low-molecular-weight fragments in the binding pocket of a BRD4 bromodomain.
Lolli G, Battistutta R
Acta Crystallogr D Biol Crystallogr 69 2161-4 (2013)
PMID: 24100334

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 BL21
UniProt:
  • Canonical: O60885 (Residues: 44-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand EDO 5 x EDO
Ligand BAE 1 x BAE
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 37.199Å b: 44.128Å c: 77.963Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.15 0.149 0.167
Expression system: Escherichia coli BL21

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Citations

2 review citations

Guidelines for the successful generation of protein-ligand complex crystals.
Müller I. (2017)
1 more