› 4gsg

X-ray diffraction
2Å resolution

DNA Holliday junction stabilized by chlorine halogen bond. Cl1J construct of related reference.

Released:
DOI: 10.2210/pdb4gsg/pdb
PDB entry 4gsg coloured by chain, front view.
PDB entry 4gsg coloured by chain, side view.
PDB entry 4gsg coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.
Carter M, Voth AR, Scholfield MR, Rummel B, Sowers LC, Ho PS
Biochemistry 52 4891-903 (2013)
PMID: 23789744

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-117559 (preferred)
Entry contents:
2 distinct DNA molecules
Macromolecules (2 distinct):
DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3') Chains: A, D
Molecule details ›
Chains: A, D
Length: 10 nucleotides
Theoretical weight: 3.03 KDa
Source organism: Synthetic construct
Expression system: Not provided
DNA (5'-D(*CP*CP*GP*GP*TP*AP*(UCL)P*CP*GP*G)-3') Chains: B, C
Molecule details ›
Chains: B, C
Length: 10 nucleotides
Theoretical weight: 3.08 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand UCL 2 x UCL

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: C2
Unit cell:
a: 65.578Å b: 24.355Å c: 37.243Å
α: 90° β: 110.85° γ: 90°
R-values:
R R work R free
0.271 0.271 0.322
Expression system: Not provided

Quick links

Citations

6 review citations

The Halogen Bond.
Cavallo et al. (2016)
5 more

3 mentions without citation

Force Field Model of Periodic Trends in Biomolecular Halogen Bonds.
Scholfield et al. (2015)
2 more