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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.

©Jiří Černý & Bohdan Schneider

HUMAN DNA TOPOISOMERASE I (70 KDA) IN COMPLEX WITH THE POISON TOPOTECAN AND COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX

Results of the assignment of 40 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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Click a row in table or a step in JSmol for analysis of results. Click column headers to sort data.
step numberStep nameCANANtCconfalrmsd
011k4t_B_DA1_DA2BBwBB16340.43BB16
021k4t_B_DA2_DA3BB2BB08860.33BB08
031k4t_B_DA3_DA4BBBBB00500.29BB00
041k4t_B_DA4_DA5BBwBB02890.12BB02
051k4t_B_DA5_DG6BBBBB00750.19BB00
061k4t_B_DG6_DA7BBBBB00950.09BB00
071k4t_B_DA7_DC8miBBB12900.18BB12
081k4t_B_DC8_DT9NANNANT00.46BB03
091k4t_C_TGP11_DG12BBwBB16470.29BB16
101k4t_C_DG12_DA13BB2BB07830.17BB07
111k4t_C_DA13_DA14BBBBB00900.17BB00
121k4t_C_DA14_DA15BBwBB02770.24BB02
131k4t_C_DA15_DA16BBBBB00630.31BB00
141k4t_C_DA16_DA17BBBBB00870.24BB00
151k4t_C_DA17_DT18BBwBB02720.23BB02
161k4t_C_DT18_DT19BBBBB00830.20BB00
171k4t_C_DT19_DT20BBBBB00890.18BB00
181k4t_C_DT20_DT21BBBBB00440.30BB00
191k4t_C_DT21_DT22BBBBB00640.27BB00
201k4t_D_DA101_DA102BBBBB00850.26BB00
211k4t_D_DA102_DA103B12BB04830.19BB04
221k4t_D_DA103_DA104BBBBB00910.18BB00
231k4t_D_DA104_DA105BBBBB00860.22BB00
241k4t_D_DA105_DT106BBwBB02780.26BB02
251k4t_D_DT106_DT107BBBBB00660.23BB00
261k4t_D_DT107_DT108BBBBB00830.29BB00
271k4t_D_DT108_DT109BBwBB11880.10BB11
281k4t_D_DT109_DT110BBBBB00710.22BB00
291k4t_D_DT110_DC111NANNANT00.32BB02
301k4t_D_DC111_DC112BBwBB03490.36BB03
311k4t_D_DC112_DA113NANNANT00.51IC03
321k4t_D_DA113_DA114BBBBB00920.08BB00
331k4t_D_DA114_DG115B12BB05950.19BB05
341k4t_D_DG115_DT116BBwBB16590.60BB16
351k4t_D_DT116_DC117BBBBB00900.15BB00
361k4t_D_DC117_DT118BBBBB00820.29BB00
371k4t_D_DT118_DT119BBBBB00930.17BB00
381k4t_D_DT119_DT120BBwBB02470.33BB02
391k4t_D_DT120_DT121BBwBB03890.21BB03
401k4t_D_DT121_DT122BBBBB00560.34BB00

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
Definition of torsion angles
step:
Table of conformers

δ1ε1ζ1α2β2γ2δ2χ1χ2μNNCC
step_torsions
ntC_average
Δ torsions
torsion scores

commentsstep confal = NaN
cartesian RMSD = NaN Å
pseudorotation: NA
details: NA

Similarity of step to class averages

Download

Results as csv or json file.
Restraints file for Phenix (steps with RMSD <= 0.5Å)
Restraints file for REFMAC (steps with RMSD <= 0.5Å)
Commands file for MMB (steps with RMSD <= 0.5Å)
Best NtC fitted to input structure.

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).

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