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Fig. 3 | BMC Molecular and Cell Biology

Fig. 3

From: Probing contacts of inhibitor locked in transition states in the catalytic triad of DENV2 type serine protease and its mutants by 1H, 19F and 15 N NMR spectroscopy

Fig. 3

1D1H spectra of the region 11-21 ppm of inhibitors (I, II) with15N13C NS2B:NS3pro. 1D 1H spectra of the region 11-21 ppm of: (a) 15N13C-NS2B: 15N13C-NS3pro with 2,6-di-fluoro-Bz-Nle-Lys-Arg-Arg-CF3-ketone (II) in pH 6.0 MES buffer, (b) 15N13C-NS2B:NS3pro with 2,6-di-fluoro-Bz-Nle-Lys-Arg-Arg-CF3-ketone (II) in pH 6.0 MES buffer, (c) 15N13C-NS2B: 15N13C-NS3pro with Bz-Nle-Lys-Arg-Arg-B(OH)2 (I) in pH 6.0 MES buffer, (d)) 15N13C-NS2B: 15N13C-NS3pro with Bz-Nle-Lys-Arg-Arg-B(OH)2 (I) in pH 8.5 Tris buffer and (e) 15N13C-NS2B:NS3pro with Bz-Nle-Lys-Arg-Arg-B(OH)2 (I) in pH 8.5 Tris buffer. The small inserts in (d) and (e) show Nδ1H of H51 second tautomer (in bold) at 19.77 ppm with the one bond J-coupling: 1JNδ1H = 52+/− 2 Hz. For first tautomer (c in italic) 1JNδ1H = 52+/− 2 Hz for 19.93 ppm of Nδ1H of H51 and 1JNε2H = 90+/− 2 Hz for 15.59 ppm of Nε2H of H51. As reference amide backbone 1JNH = 90+/− 2 Hz of the amino acid K84 at 11.39 ppm (d) is shown

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