› 1nr8

X-ray diffraction
1.66Å resolution

The crystal structure of a D-Lysine-based chiral PNA-DNA duplex

Released:
DOI: 10.2210/pdb1nr8/pdb
PDB entry 1nr8 coloured by chain, front view.
PDB entry 1nr8 coloured by chain, side view.
PDB entry 1nr8 coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Insights into peptide nucleic acid (PNA) structural features: the crystal structure of a D-lysine-based chiral PNA-DNA duplex.
Menchise V, De Simone G, Tedeschi T, Corradini R, Sforza S, Marchelli R, Capasso D, Saviano M, Pedone C
Proc Natl Acad Sci U S A 100 12021-6 (2003)
PMID: 14512516

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-114277 (preferred)
Entry contents:
2 distinct DNA molecules
Macromolecules (2 distinct):
5'-D(P*AP*GP*TP*GP*AP*TP*CP*TP*AP*C)-3' Chain: A
Molecule details ›
Chain: A
Length: 10 nucleotides
Theoretical weight: 3.04 KDa
Source organism: Synthetic construct
Expression system: Not provided
H-((GPN)*(TPN)*(APN)*(GPN)*(A66)*(T66)*(C66)*(APN)*(CPN)*(TPN))-NH2 Chain: B
Molecule details ›
Chain: B
Length: 11 nucleotides
Theoretical weight: 2.88 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand MG 1 x MG
3 modified residues:
Ligand A66 1 x A66
Ligand T66 1 x T66
Ligand C66 1 x C66

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P31
Unit cell:
a: 34.94Å b: 34.94Å c: 35.8Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.214 0.197 0.228
Expression system: Not provided

Quick links

Citations

14 review citations

DNA-binding drugs caught in action: the latest 3D pictures of drug-DNA complexes.
Boer et al. (2009)
13 more

11 mentions without citation

The structural diversity of artificial genetic polymers.
Anosova et al. (2016)
10 more