NDB ID: UP0006


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'
Structural Features:DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA,B:(GPN) (TPN) (APN) (GPN) (APN) (TPN) (CPN) (APN) (CPN) (TPN) K
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: 1
Cell Constants:
a = 55.600b = 41.900c = 30.100(Ångstroms)
= 90.00 = 117.70 = 90.00(degrees)
Refinement:The structure was refined using the CNS program. The R value is 25.5 for 1517 reflections in the resolution range 27.0 to 2.6 Ångstroms with Fobs > 3.0 sigma(Fobs).

Biological Assembly 1
Other Views
Asymmetric Unit
Crystal Packing

Biological Assemblies
Enlarge Biological Assembly 1
Enlarge Biological Assembly 2



Coordinate + Structure Data

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

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

Biological Assembly coordinates (pdb format)12

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

Base Pair Step Parameters

Hydrogen Bonding Classification

Links

The RCSB Protein Data Bank: 1XJ9

PubMed: 15686374




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