Table 3.
Selected inter-glycosidic NOEs and tr-NOEs of the glycans in the free and the bound states. The ratios between the tr-NOE and NOE intensities of the pairs H1-H4 and H1-H3 or H1-H4 and H1-H6 are reported in brackets. Significant differences between ratios of the tr-NOE and NOE intensities, indicating glyosidic dihedral angle variation upon binding, are in bold.
| trNOE/NOE selected intensities | ||||||
|---|---|---|---|---|---|---|
|
tmix [ms] |
H1–H4/H1–H3 | H1–H4/H1–H6 | H1–H4/H1–H3 | |||
| Tr-NOE | NOE | Tr-NOE | NOE | Tr-NOE | NOE | |
| Hexa-4·AT | GlcNS3S6S-IdoA2S | IdoA2S-GlcNS6S” | GlcNS6S”-GlcA” | |||
| 200 | 15/13.9 (1.1) | 4.¾.0 (1.1) | 9.8/10.4 (0.9) | 3.2/3.4 (0.9) | 16.2/5.7 (2.8) | 2.3/0.7 (3.3) |
| 300 | 25.5/23.4 (1.1) | 6.2/6.1 (1.0) | 13.3/15.1 (0.9) | 4.9/5.2 (0.9) | 25.1/10.1 (2.5) | 3.7/1.1 (3.4) |
| 500 | 34.9/32.3 (1.1) | 10.5/10.2 (1.0) | 24.½9.8 (0.8) | 8.0/7.8 (1.0) | 43.3/24.4 (1.8) | 6.0/1.9 (3.2) |
| Hexa-8·AT | GlcNS3S6S-IdoA | IdoA-GlcNS6S” | GlcNS6S”-GlcA” | |||
| 200 | 8.6/7.7 (1.1) | 5.4/6.7 (0.8) | 9.8/4.8 (2.0) | 4.0/1.6 (2.5) | 6.1/1.3 (4.7) | 1.4/0.1 (14) |
| 300 | 17.3/14.1 (1.2) | 8.0/10.2 (0.8) | 15.3/6.6 (2.3) | 6.4/2.2 (2.9) | 11.0/2.1 (5.2) | 2.2/0.4 (5.5) |
| 500 | 35.7/28.9 (1.2) | 13.2/16.7 (0.8) | 32/13.5 (2.4) | 10.5/3.6 (2.9) | 24.7/7.7 (3.2) | 4.0/0.7 (5.7) |