NDB ID: UP0002    PDB ID: 1HZS 

Title:

CRYSTAL STRUCTURE OF A PEPTIDE NUCLEIC ACID DUPLEX (BT-PNA) CONTAINING A BICYCLIC ANALOGUE OF THYMINE

Molecular Description:

PEPTIDE NUCLEIC ACID 5'-D(*GPN*OPN*APN*TPN*APN*CPN*LYS*NH2)-3'

Structural Keywords:

DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Eldrup, A.B., Nielsen, B.B., Haaima, G., Rasmussen, H., Kastrup, J.S., Christensen, C., Nielsen, P.E.
1,8-Naphthyridin-2(1H)-ones. Novel Bicyclic and Tricyclic Analogues of Thymine in Peptide Nucleic Acids (PNAs) 
Eur.J.Org.Chem., 9, pp. 1781 - 1790, 2001.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 21 21 2

Cell Constants:

a = 30.34   b = 45.0   c = 49.28 (Ångstroms)

α = 90.0   β = 90.0   γ = 90.0 (degrees)

Refinement:

The structure was refined using the X-PLOR program. The R value is 0.0 for 4196 reflections in the resolution range 6.0 to 1.82 Ångstroms with Fobs >  3.0 sigma(Fobs) and with I >  0.0 sigma(I)

Download Data:

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

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

Biological Assembly coordinates (pdb format) 1 2 

Structure Factors (cif format)

Coordinates (pdb format, Unix compressed(.gz))

Coordinates (cif format, Unix compressed(.gz))

NMR Restraints (cif format, Unix compressed(.gz))

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))