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Role of β-lactam carboxyl group on binding of penicillins and cephalosporins to class C β-lactamases by Cristina Fenollar-Ferrer; Juan Frau; Josefa Donoso; Francisco Muñoz is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.

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## Abstract Molecular models for the Henry Michaelis complexes of __Enterobacter cloacae__, a class C β‐lactamase, with penicillin G and cephalotin have been constructed by using molecular mechanic calculations, based on the AMBER force field, to examine the molecular differentiation mechanisms between cephalosporins and penicillins in β‐lactamases. Ser318Ala and Thr316Ala mutations in both complexes and Asn346Ala and Thr316Ala/Asn346Ala double mutation in penicillin G complex have also been studied. Results confirm that Thr316, Ser318, and Asn346 play a crucial role in the substrate recognition, via their interactions with one of the oxygens of the antibiotic carboxyl group. Both mutation Ser318Ala and Thr316Ala strongly affect the correct binding of cephalotin to P99, the first mainly by precluding the discriminating salt bridge between carboxyl and serine OH groups, and the second one by the Ser318, Lys315, and Tyr150 spatial rearrangements. On the other hand, Ser318Ala mutation has little effect on penicillin G binding, but the Thr316Ala/Asn346Ala double mutation causes the departure of the antibiotic from the oxyanion hole. Molecular dynamic simulations allow us to interpret t

Who reads Role of β-lactam carboxyl group on binding of penicillins and cephalosporins to class C β-lactamases?

Author

Cristina Fenollar-Ferrer; Juan Frau; Josefa Donoso; Francisco Muñoz

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); Wiley-Liss Inc; Wiley (ISSN 0887-3585)

Published

2003

Language

EN

Field

Biochemistry, Genetics and Molecular Biology (Life Sciences)