NDB ID: BDD003


Title:STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA
Molecular Description:5'-D(CpCpApGpTpApCpTpGpG)-3'
IMIDAZOLE-PYRROLE POLYAMIDE
Structural Features:B DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA, B: (DC) (DC) (DA) (DG) (DT) (DA) (DC) (DT) (DG) (DG)
Primary Citation:Kielkopf, C.L., White, S., Szewczyk, J.W., Turner, J.M., Baird, E.E., Dervan, P.B., Rees, D.C.
A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA.
Science , 282, pp. 111 - 115, 1998.
Experimental Information:X-RAY DIFFRACTION
Space Group: 1
Cell Constants:
a = 60.660b = 30.200c = 43.460(Ångstroms)
= 90.00 = 123.59 = 90.00(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, HANGING DROP
Drop:CALCIUM ACETATE, MPD, TRIS
Reservoir:CALCIUM ACETATE, MPD, TRIS
Refinement:The structure was refined using the X-PLOR 3.1 program. The R value is 21.9 for 3402 reflections in the resolution range 20.000 to 2.100 Ångstroms with Fobs > 0.000 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: 408D

PubMed: 9756473




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