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![[Figure 4]](jc5060fig4mag.jpg)
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Figure 4
Productive binding modes obtained by molecular docking. The results for DmmarA (top, cyan) and DbjA (bottom, green) with (R)-2-BP (left, magenta sticks) and (S)-2-BP (centre, salmon sticks) are represented; the active-site pockets of the enzymes are shown with the respective preferred enantiomers of 2-BP (right). The residues neighbouring the ligands are labelled. The residues involved in the SN2 reaction (sticks) are labelled in red: the nucleophile (Asp103 or Asp95) and the halide-stabilizing residues (Asn28 and Trp96 for DmmarA or Asn38 and Trp104 for DbjA). The distance between the carboxylic O atom and C atom involved in the SN2 reaction is shown as a dotted yellow line. All figures are presented from the same vantage point. |
![[Figure 4]](jc5060fig4.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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