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Figure 1
The molecules under study. PDB IDs and residue number, or CSD refcodes, are as follows: [Mg(H2O)5His]2+ (1f97, H_1f97_1_250_A; Kostrewa et al., 2001View full citation), [Mg(H2O)5Asn]2+ (1e42, H_1e42_3_960_A; Owen et al., 2000View full citation), [Mg(H2O)6]2+ (2wfi, H_2wfi_1_1002_A; Stegmann et al., 2009View full citation), C6H5Cl (MCBENZ03; Nath & Naumov, 2015View full citation), C7H9IN+ (CAGNOR; Fotović & Stilinović, 2021View full citation), C7H4IO2 (CAJCAV; Archana et al., 2021View full citation), C6H6IN (EJAYET; Dey et al., 2003View full citation), C8H11IO2 (JAMJIU; Ghosh et al., 2021View full citation) and C3H7NO2 (LALNIN03; Destro et al., 1991View full citation).

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ISSN: 1600-5767
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