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@article{1730407,
author = {Bouchal, Tomáš and Durník, Ivo and Illík, Viktor and Réblová, Kamila and Kulhánek, Petr},
article_number = {20},
doi = {http://dx.doi.org/10.1093/nar/gkaa896},
keywords = {mismatch repair; MutS/DNA; adaptive biasing force; free energy; simple base-pair parameters},
language = {eng},
issn = {0305-1048},
journal = {Nucleic Acids Research},
title = {Importance of base-pair opening for mismatch recognition},
url = {https://doi.org/10.1093/nar/gkaa896},
volume = {48},
year = {2020}
}
TY - JOUR
ID - 1730407
AU - Bouchal, Tomáš - Durník, Ivo - Illík, Viktor - Réblová, Kamila - Kulhánek, Petr
PY - 2020
TI - Importance of base-pair opening for mismatch recognition
JF - Nucleic Acids Research
VL - 48
IS - 20
SP - 11322-11334
EP - 11322-11334
PB - Oxford University Press
SN - 03051048
KW - mismatch repair
KW - MutS/DNA
KW - adaptive biasing force
KW - free energy
KW - simple base-pair parameters
UR - https://doi.org/10.1093/nar/gkaa896
L2 - https://doi.org/10.1093/nar/gkaa896
N2 - Mismatch repair is a highly conserved cellular pathway responsible for repairing mismatched dsDNA. Errors are detected by the MutS enzyme, which most likely senses altered mechanical property of damaged dsDNA rather than a specific molecular pattern. While the curved shape of dsDNA in crystallographic MutS/DNA structures suggests the role of DNA bending, the theoretical support is not fully convincing. Here, we present a computational study focused on a base-pair opening into the minor groove, a specific base-pair motion observed upon interaction with MutS. Propensities for the opening were evaluated in terms of two base-pair parameters: Opening and Shear. We tested all possible base pairs in anti/anti, anti/syn and syn/anti orientations and found clear discrimination between mismatches and canonical base-pairs only for the opening into the minor groove. Besides, the discrimination gap was also confirmed in hotspot and coldspot sequences, indicating that the opening could play a more significant role in the mismatch recognition than previously recognized. Our findings can be helpful for a better understanding of sequence-dependent mutability. Further, detailed structural characterization of mismatches can serve for designing anti-cancer drugs targeting mismatched base pairs.
ER -
BOUCHAL, Tomáš, Ivo DURNÍK, Viktor ILLÍK, Kamila RÉBLOVÁ a Petr KULHÁNEK. Importance of base-pair opening for mismatch recognition. \textit{Nucleic Acids Research}. Oxford University Press, roč.~48, č.~20, s.~11322-11334. ISSN~0305-1048. doi:10.1093/nar/gkaa896. 2020.
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