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› 7enz

X-ray diffraction
1.7Å resolution

Crystal structure of Phenanthredinone moiety in complex with the second bromodomain of BRD2 (BRD2-BD2).

Released:
DOI: 10.2210/pdb7enz/pdb
Model geometry
Fit model/data
PDB entry 7enz coloured by chain, front view.
PDB entry 7enz coloured by chain, side view.
PDB entry 7enz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Arole AH, Deshmukh P, Sridhar A, Padmanabhan B
Acta Crystallogr F Struct Biol Commun 78 119-127 (2022)
PMID: 35234137

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-150461 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 2 Chain: A
Molecule details ›
Chain: A
Length: 115 amino acids
Theoretical weight: 13.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P25440 (Residues: 348-455; Coverage: 14%)
Gene names: BRD2, KIAA9001, RING3
Sequence domains: Bromodomain

Ligands and Environments

2 bound ligands:
Ligand LDR 1 x LDR
Ligand PGE 1 x PGE
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU MICROMAX-007 HF
Unit cell:
a: 32.023Å b: 52.672Å c: 71.655Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.189 0.226
Expression system: Escherichia coli

Quick links

Citations

1 mention without citation

Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Arole et al. (2022)