TY - JOUR
T1 - Visualization of an AAF induced frameshift mutation
T2 - Molecular views of base displacement in B-DNA from minimized potential energy calculations
AU - Broyde, Suse
AU - Hingerty, Brian E.
N1 - Funding Information:
ACKNOWLEDGEMENT Supported by PHS Grant #1 RO1CA28038-07, awarded by the National Cancer Institute, DHHS, DOE Contract # DE-ACO2-81ER60015, NSF Grant # DMB8416009, BRSG Grant RR07062, awarded by the Biomedical Research Support Grant Program, Division of Research Resources, National Institutes of Health, and by the Office of Health <5c Environmental Research, U.S. Dept. of Energy under Contract # DEACO5-84OR21400 with Martin-Marietta Energy Systems, Inc. (BH). We thank Prof. Robert Shapiro and Prof. D. Grunberger for many helpful discussions.
PY - 1987/8/25
Y1 - 1987/8/25
N2 - Energy minimized structures of base displacement in an AAF modified B-DNA dodecamer are presented. A rational search strategy, beginning with a global search of the conformation space of the modified deoxydinucleoside monophosphate, together with model building by computer graphics, has been employed. A number of different minimum energy conformations have been located which reveal base displaced structures. These show fluorene interstrand stacking, fluorene inter- and intrastrand stacking, and non-stacked fluorene situated in the denatured bulge. The local helix axis is bent to various extents in the different forms, and one or two base pairs are fully denatured. One structure of especial interest offers a molecular view that suggests how AAF can induce the -2 deletion mutation observed in AAF modified E. coli (18).
AB - Energy minimized structures of base displacement in an AAF modified B-DNA dodecamer are presented. A rational search strategy, beginning with a global search of the conformation space of the modified deoxydinucleoside monophosphate, together with model building by computer graphics, has been employed. A number of different minimum energy conformations have been located which reveal base displaced structures. These show fluorene interstrand stacking, fluorene inter- and intrastrand stacking, and non-stacked fluorene situated in the denatured bulge. The local helix axis is bent to various extents in the different forms, and one or two base pairs are fully denatured. One structure of especial interest offers a molecular view that suggests how AAF can induce the -2 deletion mutation observed in AAF modified E. coli (18).
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U2 - 10.1093/nar/15.16.6539
DO - 10.1093/nar/15.16.6539
M3 - Article
C2 - 3627997
AN - SCOPUS:0023664852
SN - 0305-1048
VL - 15
SP - 6539
EP - 6552
JO - Nucleic acids research
JF - Nucleic acids research
IS - 16
ER -