NDB ID: BDD001


Title:5'-D(*CP*GP*CP*(HYD)AP*AP*AP*TP*TP*TP*GP*CP*G)-3', 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Molecular Description:5'-D(CpGpCp(IGU)pApApTpTpTpGpCpG)-3'

2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Structural Features:B DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA,B:(DC) (DG) (DC) (IGU) (DA) (DA) (DT) (DT) (DT) (DG) (DC) (DG)
Primary Citation:Robinson, H., Gao, Y.G., Bauer, C., Roberts, C., Switzer, C., Wang, A.H.
2'-Deoxyisoguanosine adopts more than one tautomer to form base pairs with thymidine observed by high-resolution crystal structure analysis.
Biochemistry , 37, pp. 10897 - 10905, 1998.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 25.759b = 41.084c = 64.307(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Refinement:The structure was refined using the SHELXL-97 program. The R value is 24.5 for 11253 reflections in the resolution range 10.000 to 1.400 Ångstroms with Fobs > 0.000 sigma(Fobs).

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: 403D

PubMed: 9692982




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