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PDBsum entry 153d
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References listed in PDB file
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Key reference
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Title
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Crystal structure of a mispaired dodecamer, D(cgagaattc(o6me)gcg)2, Containing a carcinogenic o6-Methylguanine.
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Authors
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S.L.Ginell,
J.Vojtechovsky,
B.Gaffney,
R.Jones,
H.M.Berman.
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Ref.
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Biochemistry, 1994,
33,
3487-3493.
[DOI no: ]
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PubMed id
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Abstract
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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.
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Headers
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