› 5l97

X-ray diffraction
2.05Å resolution

Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 3

Released:
DOI: 10.2210/pdb5l97/pdb
PDB entry 5l97 coloured by chain, front view.
PDB entry 5l97 coloured by chain, side view.
PDB entry 5l97 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
Marchand JR, Lolli G, Caflisch A
J Med Chem 59 9919-9927 (2016)
PMID: 27731638

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-193783 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain adjacent to zinc finger domain protein 2B Chain: A
Molecule details ›
Chain: A
Length: 116 amino acids
Theoretical weight: 13.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9UIF8 (Residues: 2054-2167; Coverage: 5%)
Gene names: BAZ2B, KIAA1476
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand 6RW 1 x 6RW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: C2221
Unit cell:
a: 81.807Å b: 96.716Å c: 57.64Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.183 0.211
Expression system: Escherichia coli

Quick links

Citations

11 citation in other articles

Mapping the Ligand Binding Landscape.
Dickson A. (2018)
10 more