NDB ID: UPNA56


Title:CRYSTAL STRUCTURE OF A PEPTIDE NUCLEIC ACID (PNA) DUPLEX AT 1.7 ANGSTROMS RESOLUTION
Molecular Description:H-P(CPNGPNTPNAPNCPNGPN)-NH2
Structural Features:DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA, B: (CPN) (GPN) (TPN) (APN) (CPN) (GPN)
Primary Citation:Rasmussen, H., Kastrup, J.S., Nielsen, J.N., Nielsen, J.M., Nielsen, P.E.
Crystal structure of a peptide nucleic acid (PNA) duplex at 1.7 A resolution.
Nat.Struct.Biol. , 4, pp. 98 - 101, 1997.
Experimental Information:X-RAY DIFFRACTION
Space Group: 1-
Cell Constants:
a = 17.970b = 26.920c = 33.780(Ångstroms)
= 88.20 = 79.40 = 82.50(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, HANGING DROP
Drop:WATER, NaCl, MgCl2, N(C16H33)(CH3)3BR
Refinement:The structure was refined using the X-PLOR 3.1 program. The R value is 20.5 for 5222 reflections in the resolution range 6.000 to 1.700 Ångstroms with Fobs > 2.000 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)

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: 1PUP

PubMed: 9033585




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