NDB ID: UP0004


Title:THE INFLUENCE OF A CHIRAL AMINO ACID ON THE HELICAL HANDEDNESS OF PNA IN SOLUTION AND IN CRYSTALS
Molecular Description:5'-D((CPN)(GPN)(TPN)(APN)(CPN)(GPN)(LYS)
(NH2))-3'
Structural Features:DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA, B: (CPN) (GPN) (TPN) (APN) (CPN) (GPN) K
Primary Citation:Rasmussen, H., Liljefors, T., Petersson, B., Nielsen, P.E., Kastrup, J.S.
The Influence of a Chiral Amino Acid on the Helical Handedness of PNA in Solution and in Crystals
J.Biomol.Struct.Dyn. , 21, pp. 495 - 502, 2004.
Experimental Information:X-RAY DIFFRACTION
Space Group: 1
Cell Constants:
a = 36.75b = 44.07c = 31.22(Ångstroms)
= 90.00 = 91.51 = 90.00(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, HANGING DROP
Drop:glycerol, magnesium formate, H2O
Reservoir:magnesium formate, H2O
Refinement:The structure was refined using the X-PLOR 3.851 program. The R value is 21.9 for 1453 reflections in the resolution range 6.00 to 2.35 Ångstroms with Fobs > 3.0 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)12

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 Protein Data Bank: 1RRU

PubMed: 14692794




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