› 3omj

X-ray diffraction
0.95Å resolution

Structural Basis for Cyclic Py-Im Polyamide Allosteric Inhibition of Nuclear Receptor Binding

Released:
DOI: 10.2210/pdb3omj/pdb
PDB entry 3omj coloured by chain, front view.
PDB entry 3omj coloured by chain, side view.
PDB entry 3omj coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Structural basis for cyclic Py-Im polyamide allosteric inhibition of nuclear receptor binding.
Chenoweth DM, Dervan PB
OpenAccess logo J Am Chem Soc 132 14521-9 (2010)
PMID: 20812704

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-116656 (preferred)
Entry contents:
1 distinct DNA molecule
Macromolecule:
5'-D(*CP*(C38)P*AP*GP*TP*AP*CP*TP*GP*G)-3' Chains: A, B
Molecule details ›
Chains: A, B
Length: 10 nucleotides
Theoretical weight: 3.17 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand CA 4 x CA
Ligand 1P2 1 x 1P2
1 modified residue:
Ligand C38 2 x C38

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P41212
Unit cell:
a: 39.831Å b: 39.831Å c: 84.567Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.113 0.112 0.124
Expression system: Not provided

Quick links

Citations

7 review citations

Beyond the ligand-binding pocket: targeting alternate sites in nuclear receptors.
Caboni et al. (2013)
6 more

10 mentions without citation

Structure-based DNA-targeting strategies with small molecule ligands for drug discovery.
Sheng et al. (2013)
9 more