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. 2023 Jan 17;13:1060736. doi: 10.3389/fgene.2022.1060736

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Copyright © 2023 Arer and Kar.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Representation of OXA-24/40-durlobactam complex. Durlobactam is also known as ETX2514. (A) ETX2514|Fo| |Fc| was eliminated from OXA-24/40 refinement and map calculations. Carbon atom sticks are used to symbolize the inhibitor (blue) and protein (gray). Three contours of electron density. The K84 side chain is carbamylated and non-carbamylated, with .6 and .4 occupancy conformations labeled as “a” and “b”, respectively. Additionally, the active site was optimized to contain a chloride ion with a .4 occupancy, represented by a green sphere labeled “Cl”. (B) ETX2514 and OXA-24/40 hydrogen bonding. Red spheres show water molecules, while green spheres show a chloride ion that is only partly filled. (Adapted from Barnes et al., 2019).