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![[Figure 5]](ud5045fig5mag.jpg)
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Figure 5
(a) Catalytic triad residues of PvS1Cat-Tryps (Asp316, His372 and Ser549) and Asn464 in the oxyanion hole in the transition-state analogue with MAM-117 (shown in yellow). The covalent bond between Ser549 and the α-keto group of MAM-117 in position P1 is shown by an arrow. Hydrogen bonds are depicted as blue dotted lines. (b, c) Conformational changes of Asn464 in the oxyanion hole of PvS1Cat-Tryps (b) and the Phe435 and Met416 residues of the S4 hydrophobic binding pocket (c) in PvS1Cat-Tryps in the apo form (grey) or in complex with MAM-117 (green). For clarity only the P1–P4 residues of MAM-117 are shown in (b). (d) Conformational changes of the Phe435 and Met416 residues of the S4 hydrophobic binding pocket of PvS1Cat-Tryps in PvS1FL-Bac (white) and PvS1Cat-Tryps in the apo form (blue) or in complex with MAM-117 (green) and the consequences for the S4 pocket volumes of PvS1FL-Bac (blue) and PvS1Cat-Tryps–MAM-117 (green). |
![[Figure 5]](ud5045fig5.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
