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 mechanics/dynamics

Summary for 1DA4

• Entry DOI: 10.2210/pdb1da4/pdb
• Descriptor: DNA (5'-D(P*CP*TP*CP*TP*AP*GP*TP*GP*CP*TP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*AP*GP*CP*AP*CP*TP*AP*GP*AP*G)-3'), Cisplatin (3 entities in total)
• Functional Keywords: dna
• Total number of polymer chains: 2
• Total formula weight: 8243.24

Authors

Van Garderen, C.J.,Van Houte, L.P.A. (deposition date: 1993-01-13, release date: 1994-01-31, Last modification date: 2024-04-10)

Primary citation

van Garderen, C.J.,van Houte, L.P.
The solution structure of a DNA duplex containing the cis-Pt(NH3)2[d(-GTG-)-N7(G),N7(G)] adduct, as determined with high-field NMR and molecular mechanics/dynamics.
Eur.J.Biochem., 225:1169-1179, 1994

PubMed 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.

PubMed: 7957208
DOI: 10.1111/j.1432-1033.1994.1169b.x

Experimental method

SOLUTION NMR