NDB ID: AD0029


Title:CRYSTAL STRUCTURE OF A-DNA DECAMER GCGTA(3ME)ACGC, WITH A MODIFIED 5-METHYLURIDINE
Molecular Description:5'-D(GpCpGpTpAp(3ME)pApCpGpC)-3'
Structural Features:A DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA,B:(DG) (DC) (DG) (DT) (DA) (3ME) (DA) (DC) (DG) (DC)
Primary Citation:Prhavc, M., Prakash, T.P., Minasov, G., Cook, P.D., Egli, M., Manoharan, M.
2'-O-[2-[2-(N,N-dimethylamino)ethoxy]ethyl] modified oligonucleotides: symbiosis of charge interaction factors and stereoelectronic effects
Org.Lett. , 5, pp. 2017 - 2020, 2003.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 25.260b = 44.110c = 45.530(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Refinement:The structure was refined using the CNS program. The R value is 19.2 for 6676 reflections in the resolution range 20.0 to 1.60 Ångstroms with I > 0.0 sigma(I).

Biological Assembly 1
Other Views
Asymmetric Unit
Crystal Packing
Enlarge Biological Assembly 1



Coordinate + Structure Data

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

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

Biological Assembly coordinates (pdb format)

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: 1NZG

PubMed: 12790517




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