153d

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153d, resolution 2.900Å

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CRYSTAL STRUCTURE OF A MISPAIRED DODECAMER, D(CGAGAATTC(O6ME)GCG)2, CONTAINING A CARCINOGENIC O6-METHYLGUANINE

Overview

The crystal structure of the synthetic deoxydodecamer, d(CGAGAATTC(O6Me)GCG)2 has been determined and refined to an R-factor of, 16.9% with data up to 2.9-A resolution. This sequence contains two, mismatched base pairs between O6-methylguanine and adenine with the, arrangement A(syn).(O6-Me)G(anti) which differs from the geometry observed, in solution by NMR. The intermolecular arrangement is equivalent to the, other isomorphous deoxydodecamers. However, the weakening of some, significant crystal packing contacts was observed and related to the, effect of stacking between the mispaired adenine and the adjacent guanine, in the sequence. The structure is highly hydrated, with a total of 49, solvent molecules located. The methyl group and the mismatched base-pair, geometry locally disrupt the B-DNA-type solvent network with two solvent, molecules found close to the N1 and N6 of the mispaired adenine.

About this Structure

153D is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.

Reference

Crystal structure of a mispaired dodecamer, d(CGAGAATTC(O6Me)GCG)2, containing a carcinogenic O6-methylguanine., Ginell SL, Vojtechovsky J, Gaffney B, Jones R, Berman HM, Biochemistry. 1994 Mar 29;33(12):3487-93. PMID:8142345

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