Crystal structure of OXA-48:P68A and molecular modeling of OXA-48:P68A,Y211S. Crystal structure of OXA-48:P68A and molecular modeling of OXA-48:P68A,Y211S.

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Crystal structure of OXA-48:P68A and molecular modeling of OXA-48:P68A,Y211S. Crystal structure of OXA-48:P68A and molecular modeling of OXA-48:P68A,Y211S. (A) Structure in the absence of CAZ (red) superimposed onto native OXA-48 (gray; PDB no. 4S2P) (10). (B) Structure of OXA-48:P68A (gray) in the absence of CAZ (left) and with CAZ covalently bound (right [CAZ is displayed in orange]). CAZ binding causes a displacement of R214 (red) as well as a disorder of the Ω-loop. (C) Superimposition of OXA-48:P68A-AVI (red) with native OXA-48 binding AVI (gray; PDB no. 4S2P) (10). In both native OXA-48 and OXA-48:P68A, we found AVI interacting and binding to the same residues. (D) Superimposition of OXA-48:P68A (gray) binding CAZ (orange) with the modeled structure of OXA-48:P68A,Y211S (red). Here Y211 and T234, P235, and M236 form H-bonds with a central coordinated water molecule. Formation of the same H-bonds in the presence of S211 in OXA-48:P68A,Y211S is unlikely. Christopher Fröhlich et al. mSphere 2019; doi:10.1128/mSphere.00024-19