Conformers:
ABBIImiBZICOPNSYNN
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Structure of Human PARP-1 bound to a DNA double strand break in complex with (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
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 50 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 | 4oqb_M_DG1_DC2 | A-B | AB05 | 8 | 0.27 |
| 02 | 4oqb_M_DC2_DC3 | BBB | BB00 | 28 | 0.21 |
| 03 | 4oqb_M_DC3_DT4 | BBB | BB00 | 86 | 0.24 |
| 04 | 4oqb_M_DT4_DA5 | BB2 | BB07 | 92 | 0.13 |
| 05 | 4oqb_M_DA5_DC6 | BBB | BB00 | 87 | 0.18 |
| 06 | 4oqb_M_DC6_DC7 | BBB | BB00 | 89 | 0.17 |
| 07 | 4oqb_M_DC7_DG8 | BBB | BB01 | 19 | 0.44 |
| 08 | 4oqb_M_DG8_DG9 | NAN | NANT | 0 | 0.34 |
| 09 | 4oqb_M_DG9_DT10 | B-A | BA01 | 24 | 0.22 |
| 10 | 4oqb_M_DT10_DT11 | BBB | BB01 | 36 | 0.30 |
| 11 | 4oqb_M_DT11_DC12 | BBB | BB00 | 61 | 0.19 |
| 12 | 4oqb_M_DC12_DG13 | BBB | BB00 | 82 | 0.17 |
| 13 | 4oqb_M_DG13_DC14 | BBB | BB00 | 82 | 0.20 |
| 14 | 4oqb_M_DC14_DG15 | B12 | BB04 | 64 | 0.24 |
| 15 | 4oqb_M_DG15_DA16 | BBB | BB00 | 73 | 0.33 |
| 16 | 4oqb_M_DA16_DA17 | miB | BB15 | 55 | 0.31 |
| 17 | 4oqb_M_DA17_DC18 | BB2 | BB07 | 28 | 0.35 |
| 18 | 4oqb_M_DC18_DC19 | miB | BB15 | 44 | 0.30 |
| 19 | 4oqb_M_DC19_DG20 | B12 | BB04 | 80 | 0.22 |
| 20 | 4oqb_M_DG20_DG21 | miB | BB10 | 55 | 0.29 |
| 21 | 4oqb_M_DG21_DT22 | BBB | BB00 | 85 | 0.23 |
| 22 | 4oqb_M_DT22_DA23 | BB2 | BB07 | 43 | 0.31 |
| 23 | 4oqb_M_DA23_DG24 | NAN | NANT | 0 | 0.42 |
| 24 | 4oqb_M_DG24_DG25 | miB | BB15 | 63 | 0.28 |
| 25 | 4oqb_M_DG25_DC26 | B-A | BA05 | 76 | 0.26 |
| 26 | 4oqb_N_DG1_DC2 | NAN | NANT | 0 | 0.36 |
| 27 | 4oqb_N_DC2_DC3 | A-B | AB01 | 22 | 0.45 |
| 28 | 4oqb_N_DC3_DT4 | BBB | BB00 | 83 | 0.28 |
| 29 | 4oqb_N_DT4_DA5 | BB2 | BB07 | 92 | 0.10 |
| 30 | 4oqb_N_DA5_DC6 | BBB | BB00 | 85 | 0.21 |
| 31 | 4oqb_N_DC6_DC7 | BBB | BB00 | 89 | 0.17 |
| 32 | 4oqb_N_DC7_DG8 | BBB | BB00 | 63 | 0.41 |
| 33 | 4oqb_N_DG8_DG9 | BBB | BB00 | 76 | 0.15 |
| 34 | 4oqb_N_DG9_DT10 | B-A | BA08 | 81 | 0.28 |
| 35 | 4oqb_N_DT10_DT11 | BBB | BB01 | 47 | 0.25 |
| 36 | 4oqb_N_DT11_DC12 | BBB | BB00 | 56 | 0.19 |
| 37 | 4oqb_N_DC12_DG13 | BBB | BB00 | 81 | 0.18 |
| 38 | 4oqb_N_DG13_DC14 | BBB | BB00 | 82 | 0.20 |
| 39 | 4oqb_N_DC14_DG15 | B12 | BB04 | 60 | 0.27 |
| 40 | 4oqb_N_DG15_DA16 | BBB | BB00 | 71 | 0.33 |
| 41 | 4oqb_N_DA16_DA17 | BBB | BB00 | 17 | 0.17 |
| 42 | 4oqb_N_DA17_DC18 | B12 | BB04 | 33 | 0.33 |
| 43 | 4oqb_N_DC18_DC19 | miB | BB15 | 43 | 0.32 |
| 44 | 4oqb_N_DC19_DG20 | B12 | BB04 | 81 | 0.24 |
| 45 | 4oqb_N_DG20_DG21 | B12 | BB04 | 29 | 0.18 |
| 46 | 4oqb_N_DG21_DT22 | BBB | BB00 | 83 | 0.25 |
| 47 | 4oqb_N_DT22_DA23 | BB2 | BB07 | 77 | 0.18 |
| 48 | 4oqb_N_DA23_DG24 | BBB | BB00 | 62 | 0.21 |
| 49 | 4oqb_N_DG24_DG25 | miB | BB15 | 68 | 0.26 |
| 50 | 4oqb_N_DG25_DC26 | B-A | BA05 | 75 | 0.28 |
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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| Color by conformation group (pyramids) | |
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| Color by NtC (balls) |
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| B-A | ||||
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| B | ||||
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