NDB ID: UP0003


Title:THE CRYSTAL STRUCTURE OF A D-LYSINE-BASED CHIRAL PNA-DNA DUPLEX
Molecular Description:DNA/PEPTIDE NUCLEIC ACID COMPLEX
Structural Features:RH DOUBLE HELIX
Nucleic Acid Sequence:
ChainA: (DA) (DG) (DT) (DG) (DA) (DT) (DC) (DT) (DA) (DC)
ChainB: (GPN) (TPN) (APN) (GPN) (A66) (T66) (C66) (APN) (CPN) (TPN)
Primary Citation:Menchise, V., De Simone, G., Tedeschi, T., Corradini, R., Sforza, S., Marchelli, R., Capasso, D., Saviano, M., Pedone, C.
Insights into peptide nucleic acid (PNA) structural features: The crystal structure of a D-lysine-based chiral PNA-DNA duplex
Proc.Natl.Acad.Sci.USA , 100, pp. 12021 - 12026, 2003.
Experimental Information:X-RAY DIFFRACTION
Space Group: 31
Cell Constants:
a = 34.94b = 34.94c = 35.80(Ångstroms)
= 90.00 = 90.00 = 120.00(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, HANGING DROP
Drop:AMMONIUM ACETATE, PEG 8000 Na CACODYLATE, MgCl2, MES, ISOPROPANOL
Reservoir:AMMONIUM ACETATE, PEG 8000 MgCl2, ISOPROPANOL
Refinement:The structure was refined using the CNS 1.1 program. The R value is 19.7 for 5429 reflections in the resolution range 20.0 to 1.66 Ångstroms with Fobs > 0 sigma(Fobs).

Biological Unit 1
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Coordinate + Structure Data

Asymmetric Unit coordinates (pdb format, Unix compressed(.gz))

Asymmetric Unit coordinates (cif format, Unix compressed(.gz))

Biological Unit coordinates (pdb format)

Structure Factors (cif format)

XML | Complete with coordinates (xml format, GNU compressed(.gz))
XML | Coordinates only (xml format, GNU compressed(.gz))
XML | Header only (xml format, GNU compressed(.gz))

Derivative Data

Nucleic Acid Backbone Torsions

Base Pair Parameters

Hydrogen Bonding Classification

Links

The Protein Data Bank: 1NR8

PubMed: 14512516




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