Table 2. Comparison of Helical Parameters between Available PNA–DNA and Thyclotide–DNA Complexesa.
| structure | type | twist [°] | rise [Å] | base tilt [°] | displacement [Å] | bases per turn | method |
|---|---|---|---|---|---|---|---|
| 7UID (A–B) | thyclotide–DNA | 22.5 | 3.3 | 1.6 | –5.3 | 16.0 | X-ray |
| 7UID (C–D) | thyclotide–DNA | 24.3 | 3.3 | 1.4 | –5.4 | 14.8 | X-ray |
| 7KZL | cpPNA–DNA37 | 27.1 | 3.4 | 0.4 | –3.4 | 13.2 | X-ray |
| 1PDT | PNA–DNA50 | 27.5 | 3.5 | –1.3 | –2.9 | 13.1 | NMR |
| 3PA0 | γPNA–DNA51 | 22.6 | 3.3 | 3.0 | –6.6 | 15.9 | X-ray |
| 1NR8 | αPNA–DNA52 | 23.0 | 3.4 | 0.7 | –4.2 | 15.7 | X-ray |
| A-DNA | DNA–DNA53 | 32.7 | 2.6 | –4.5 | –4.5 | 11 | X-ray |
| B-DNA | DNA–DNA53 | 36.0 | 3.4 | –0.1 | 0.0 | 10 | X-ray |
a
A–B and C–D refer to the two duplexes in the asymmetric crystallographic unit from this work. One duplex is the pairing of strands A and B, and the other is the pairing of strands C and D. The averaged values were calculated with CURVES.48