› 5l8u

X-ray diffraction
1.85Å resolution

Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 5

Released:
DOI: 10.2210/pdb5l8u/pdb
PDB 5l8u coloured by chain and viewed from the front.
PDB 5l8u coloured by chain and viewed from the side.
PDB 5l8u coloured by chain and viewed from the top.
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)
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

2 bound ligands:
Ligand 6RS 1 x 6RS
Ligand PGE 2 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: C2221
Unit cell:
a: 81.312Å b: 96.813Å c: 57.716Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.174 0.192
Expression system: Escherichia coli

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Citations

5 citation in other articles

Discovery of BAZ2A bromodomain ligands.
Spiliotopoulos et al. (2017)
4 more