The impact of molecular variants, crystallization conditions and the space group on ligand–protein complexes: a case study on bacterial phosphotriesterase

Dym, O.; Aggarwal, N.; Ashani, Y.; Leader, H.; Albeck, S.; Unger, T.; Hamer-Rogotner, S.; Silman, I.; Tawfik, D.S.; Sussman, J.L.

doi:10.1107/S2059798323007672

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 3
Methylphosphonates that were crystallized with the PTE variants. (a) Methylphosphonic acid, (b) O-ethyl methylphosphonic acid, (c) O-ethyl-O-(N,N-diisopropylaminoethyl) methylphosphonate (the oxo analogue of VX), (d) O-isopropyl methylphosphonic acid. In all four structures the CH₃ moiety is pointing away from the viewing plane and thus is not seen. The OPs are shown as stick figures with C atoms colored yellow, N atoms blue, O atoms red and P atoms orange.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 79| Part 11| November 2023| Pages 992-1009

https://doi.org/10.1107/S2059798323007672

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