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Computer-assisted dissection of the DNA mismatch recognition mechanism of the MutS protein

Jiang, W.; Ding, Y.; Li, Y.; Sun, H.; Liang, X.; Li, Q.

2025-12-16 synthetic biology
10.64898/2025.12.16.694542 bioRxiv
Show abstract

By sensing local conformational strains in DNA, TaqMutS utilizes a push-pull mechanism via the synergy of residues S57 and D472 to modulate {pi}-stacking interactions between the key recognition residue F39 and DNA, thereby achieving specific mismatch-site recognition. Meanwhile, residues K61 and R473 fine-tune non-specific binding of TaqMutS through electrostatic synergy.

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