BiochemistrybioRxivPreprint
Structural insights into the mechanism of C3 side chain fragmentation in cephalosporins with SME-1 class A carbapenemase
Kunal Dhankhar, Gourav Chakraborty, Abhishek Bera…·Saugata Hazra
This study investigates the mechanism of C3 side chain fragmentation in cephalosporins by SME-1 class A carbapenemase using crystallography and QM/MM simulations, revealing that sp3 hybridization at C3 facilitates fragmentation while sp2 and sulfur at C3 inhibit it.