NDB ID: UP0006    PDB ID: 1XJ9 

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Title:

CRYSTAL STRUCTURE OF A PARTLY SELF-COMPLEMENTARY PEPTIDE NUCLEIC ACID (PNA) OLIGOMER SHOWING A DUPLEX-TRIPLEX NETWORK

Molecular Description:

5'-D(*(GPN)P*(TPN)*(APN)*(GPN)*(APN)*(TPN)*(CPN)*(APN)*(CPN)*(TPN)*(LYS)*(NH2))-3'

Deposited:

2004-09-23

Released:

2005-02-22

Structural Keywords:

DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Petersson, B., Nielsen, B.B., Rasmussen, H., Larsen, I.K., Gajhede, M., Nielsen, P.E., Kastrup, J.S.
Crystal Structure of a Partly Self-Complementary Peptide Nucleic Acid (PNA) Oligomer Showing a Duplex-Triplex Network 
J.Am.Chem.Soc., 127, pp. 1424 - 1430, 2005.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

C 1 2 1

Cell Constants:

a = 55.6   b = 41.9   c = 30.1 (Ångstroms)

α = 90.0   β = 117.7   γ = 90.0 (degrees)

Refinement:

The structure was refined using the CNS program. The R value is 0.0 for 1517 reflections in the resolution range 27.0 to 2.6 Ångstroms with Fobs >  3.0 sigma(Fobs) and with I >  0.0 sigma(I)

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Biological Assembly coordinates (pdb format) 1 2 

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

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