Table 2.
Imino proton chemical shifts and hydrogen bond JNN coupling constants of PKWT and PKDU at 20°C
| Residues | JNNa | JNN,PKWT/ JNN,PKDU |
||
|---|---|---|---|---|
| PKWT | PKDU | |||
| Stem 1 Watson-Crick |
G94-C120 | 5.5 ± 0.1 | 5.8 ± 0.1 | 0.96 |
| G95-C119 | 5.6 ± 0.1 | 5.7 ± 0.1 | 0.99 | |
| C96-G118 | 5.9 ± 0.1 | 6.0 ± 0.1 | 0.99 | |
| U97-A117 | 6.3 ± 0.1 | 6.5 ± 0.1 | 0.96 | |
| G98-C116 | 5.5 ± 0.1 | 5.5 ± 0.1 | 1.01 | |
| Stem 2 Watson-Crick |
U115-A174 | 5.4 ± 0.3 | 5.1 ± 0.1 | 1.05 |
| U114-A175 | 5.5 ± 0.3 | 5.9 ± 0.1 | 0.93 | |
| U113-A176 | 5.5 ± 0.3 | 5.6 ± 0.1 | 0.99 | |
| C112-G178 | 5.3 ± 0.1 | 6.4 ± 0.1 | 0.82 | |
| A111-U179 | 5.5 ± 0.1 | 6.1 ± 0.1 | 0.90 | |
| G110-C180 | 5.8 ± 0.1 | 5.6 ± 0.1 | 1.03 | |
| U109-A181 | 5.8 ± 0.1 | 5.5 ± 0.1 | 1.04 | |
| C108-G182 | 6.0 ± 0.1 | 5.7 ± 0.1 | 1.04 | |
| G107-C183 | 5.5 ± 0.1 | 5.6 ± 0.2 | 0.99 | |
| Loop 1 Hoogsteen |
U99-A173 | 4.9 ± 0.1 | 5.0 ± 0.1 | 0.99 |
| U100-A174 | 5.2 ± 0.7 | 5.3 ± 0.1 | 0.98 | |
| U101-A175 | 5.1 ± 0.1 | 4.9 ± 0.1 | 1.05 | |
| U102-A176 | 5.1 ± 0.2 | 5.6± 0.2 | 1.08 | |
a.
Errors are calculated from the noise of the experiments.
•
2JNNHNN COSY NMR spectra were taken at 20°C on 600MHz wit h a cryoprobe.
•
Two-bond 15N-15N coupling constants (2JNN) are calculated by using 2JNN = atan [(−Ic/Id)1/2]/(2πτ), where Ic and Id are the intensities of cross and diagonal peaks, 2τ is the COSY transfer time.