1DA4: Solution Structure Of A Dna Duplex Containing The Cis-Pt(Nh3)2[d(-Gtg- )-N7-(G)-N7(G)n7(G)]adduct As Determined With High Field Nmr And Molecular MechanicsDYNAMICS

Citation:
Abstract
The solution structure of the cis-Pt-GTG adduct in the double-stranded oligomer d(CTCTAGTGCTCAC).td(GTGAGCACTAGAG) was studied with high-resolution NMR techniques. For model building, the distance information obtained from two-dimensional NOE experiments was used in molecular mechanic computations and molecular dynamic structure refinements. The structural distortion upon platination appears to be restricted to the base pairs Pt-G6.C21 and T7.A20; Pt-G8.C19 forms a normal Watson-Crick base pair. T7 is positioned in the minor groove and stacks with the highly propeller-twisted Pt-G6. There is no hydrogen bonding between T7 and A20. The complementary strand is undistorted; A20 stacks with its flanking cytidines (C19 and C21) as in regular B-DNA. The duplex is locally unwound (from base pair A5.T22 to G8.C19: 19 degrees) and is slightly kinked (20 degrees) at the platination site. The platinum coordination distorts the DNA structure at the 5' side of the platinated-GTG-sequence and changes the minor groove face.
PDB ID: 1DA4Download
MMDB ID: 48617
PDB Deposition Date: 1993/1/13
Updated in MMDB: 2011/10
Experimental Method:
solution nmr
Source Organism:
Biological Unit for 1DA4: dimeric; determined by author
Molecular Components in 1DA4
Label Count Molecule
Nucleotides(2 molecules)
1
DNA (5'-d(p*cp*tp*cp*tp*ap*gp*tp*gp*cp*tp*cp*ap*c)-3')
Molecule annotation
1
DNA (5'-d(p*gp*tp*gp*ap*gp*cp*ap*cp*tp*ap*gp*ap*g)-3')
Molecule annotation
Chemical (1 molecule)
1
1
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