› 5v84

X-ray diffraction
2.7Å resolution

CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide)

Released:
DOI: 10.2210/pdb5v84/pdb
PDB entry 5v84 coloured by chain, front view.
PDB entry 5v84 coloured by chain, side view.
PDB entry 5v84 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2).
Crawford TD, Audia JE, Bellon S, Burdick DJ, Bommi-Reddy A, Côté A, Cummings RT, Duplessis M, Flynn EM, Hewitt M, Huang HR, Jayaram H, Jiang Y, Joshi S, Kiefer JR, Murray J, Nasveschuk CG, Neiss A, Pardo E, Romero FA, Sandy P, Sims RJ, Tang Y, Taylor AM, Tsui V, Wang J, Wang S, Wang Y, Xu Z, Zawadzke L, Zhu X, Albrecht BK, Magnuson SR, Cochran AG
ACS Med Chem Lett 8 737-741 (2017)
PMID: 28740608

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189787 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chromatin remodeling regulator CECR2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 140 amino acids
Theoretical weight: 16.64 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9BXF3 (Residues: 424-538; Coverage: 8%)
Gene names: CECR2, KIAA1740
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand SO4 2 x SO4
Ligand 96V 4 x 96V
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: I222
Unit cell:
a: 101.184Å b: 116.488Å c: 132.93Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.206 0.222
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Targeting bromodomain-containing proteins: research advances of drug discovery.
Pan et al. (2023)
4 other articles

1 mention without citation

GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2).
Crawford et al. (2017)