Table 3.
NOE-derived intermolecular distances (Å) of CV-N-bound Man3 and equivalent distances in the triman-noside unit of the D1 arm from the crystal structure of Man9 bound to CV-N (PDB accession code 3GXZ).a
| CV-N | Man3 | rexp | r3GXZ |
|---|---|---|---|
| G2 NH | H2′ | 2.82 | 2.44 |
| K3 Hβb | H4″ | 2.40 | 2.61 |
| K3 Hβb | H3′ | 3.06 | 3.01 |
| K3 Hδ | H3′ | 2.90 | 2.28 |
| Q6 Hβa | H4″ | 3.50 | 3.56 |
| Q6 Hβa | H6″ | 2.77b | 2.60/3.35 |
| Q6 Hβb | H6″ | 3.03b | 2.59/3.77 |
| T7 Hγ | H1 | 4.50 | 4.54 |
| T7 Hγ | H4″ | 4.01 | 3.98 |
| T7 Hγ | H5″ | 2.98 | 2.35 |
| T7 Hγ | H6″ | 2.67b | 1.82 |
| E23 Hβb | H6 | 2.29b | 2.40/3.09 |
| T25 Hα | H5 | 2.33 | 2.03 |
| T25 Hγ | H3 | 3.18 | 2.57 |
| T25 Hγ | H5 | 3.29 | 3.25 |
| A92 Hβ | H2″ | 3.44 | 3.46 |
| A92 Hβ | H1′ | 3.35 | 3.87 |
| A92 Hβ | H2′ | 2.99 | 2.57 |
| N93 NH | H2″ | 3.16 | 3.08 |
| N93 NH | H3″ | 2.58 | 2.66 |
| N93 Hβa | H2″ | 3.27 | 3.55 |
| N93 Hβa | H3″ | 2.32 | 1.86 |
| N93 δNHa | H4 | 2.97 | 3.26 |
| N93 δNHa | H6 | 2.52b | 2.56/2.69 |
| N93 δNHb | H4 | 3.12 | 3.40 |
| N93 δNHb | H6 | 2.58b | 2.55/3.46 |
| N93 δNHb | H3″ | 3.02 | 3.14 |
| I94 Hδ | H1″ | 4.42 | 4.44 |
| I94 Hδ | H2″ | 3.34 | 2.82 |
| I94 Hδ | H3″ | 4.87 | 4.82 |
| I94 Hδ | H1′ | 3.45 | 3.54 |
| D95 NH | H3 | 3.16 | 3.69 |
| D95 NH | H4 | 3.43 | 3.17 |
a
A complete list of intermolecular NOEs is provided in Table S3.
b
H6(″)a and H6(″)b resonances could not be distinguished since NOEs were obtained in the 13C dimension of the 1H,13C-HSQC-NOESY spectrum.