Conformers:
ABBIImiBZICOPNSYNN
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The NMR-derived solution structure of the (2S,3S)-N6-(2,3,4-trihydroxybutyl)-2'-deoxyadenosyl DNA adduct of butadiene diol epoxide
Click a row in table or a step in viewer for analysis of results. Click column headers to sort data.
Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
Results of the assignment of 20 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.
Click a row in table or a step in viewer for analysis of results. Click column headers to sort data.
Define restraints for steps within Å cartesian RMSD, global sigma scaling factor or use per step sigma scaling.
| step number | Step name | CANA | NtC | confal | rmsd |
|---|---|---|---|---|---|
| 01 | 1u6c_A_DC1_DG2 | NAN | NANT | 0 | 0.51 |
| 02 | 1u6c_A_DG2_DG3 | NAN | NANT | 0 | 0.65 |
| 03 | 1u6c_A_DG3_DA4 | NAN | NANT | 0 | 0.54 |
| 04 | 1u6c_A_DA4_DC5 | NAN | NANT | 0 | 0.57 |
| 05 | 1u6c_A_DC5_2BU6 | NAN | NANT | 0 | 0.85 |
| 06 | 1u6c_A_2BU6_DA7 | NAN | NANT | 0 | 0.64 |
| 07 | 1u6c_A_DA7_DG8 | BBB | BB00 | 82 | 0.26 |
| 08 | 1u6c_A_DG8_DA9 | BBB | BB00 | 64 | 0.42 |
| 09 | 1u6c_A_DA9_DA10 | NAN | NANT | 0 | 0.56 |
| 10 | 1u6c_A_DA10_DG11 | BBB | BB01 | 55 | 0.32 |
| 11 | 1u6c_B_DC12_DT13 | BBB | BB01 | 56 | 0.29 |
| 12 | 1u6c_B_DT13_DT14 | NAN | NANT | 0 | 0.60 |
| 13 | 1u6c_B_DT14_DC15 | BBB | BB00 | 49 | 0.39 |
| 14 | 1u6c_B_DC15_DT16 | BBB | BB00 | 69 | 0.30 |
| 15 | 1u6c_B_DT16_DT17 | NAN | NANT | 0 | 0.59 |
| 16 | 1u6c_B_DT17_DG18 | BBB | BB00 | 17 | 0.40 |
| 17 | 1u6c_B_DG18_DT19 | BBB | BB00 | 58 | 0.25 |
| 18 | 1u6c_B_DT19_DC20 | NAN | NANT | 0 | 0.93 |
| 19 | 1u6c_B_DC20_DC21 | NAN | NANT | 0 | 0.72 |
| 20 | 1u6c_B_DC21_DG22 | NAN | NANT | 0 | 0.59 |
Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
|
step: Table of conformers |
| δ1 | ε1 | ζ1 | α2 | β2 | γ2 | δ2 | χ1 | χ2 | μ | NN | CC | |
| step_torsions | ||||||||||||
| ntC_average | ||||||||||||
| Δ torsions | ||||||||||||
| torsion scores |
| comments | step confal = NaN cartesian RMSD = NaN Å pseudorotation: NA details: NA |
Similarity of step to class averages
Download
Results as csv or json file.Best NtC fitted to input structure.
Restraints
Restraints file for REFMAC (steps with RMSD <= 0.5Å)Commands file for MMB (steps with RMSD <= 0.5Å)
Restraints file for Phenix (steps with RMSD <= 0.5Å) [?]
Definitions
Average parameters (csv), esd values (csv), and Cartesian coordinates of conformers.Download the papers
Description of DNATCO server:Černý et al., Nucleic Acids Research, 44, W284 (2016).
Definition of conformers:
Schneider et al., Acta Cryst D, 74, 52-64 (2018).
Example of application:
Schneider et al., Genes, 8(10), 278, (2017).
Browse conformers
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