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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 IN 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
011k4s_B_DA1_DA2NANNANT00.58BB17
021k4s_B_DA2_DA3B12BB04560.28BB04
031k4s_B_DA3_DA4BBBBB00190.43BB00
041k4s_B_DA4_DA5BBBBB00560.30BB00
051k4s_B_DA5_DG6BBwBB02770.20BB02
061k4s_B_DG6_DA7BBBBB00780.20BB00
071k4s_B_DA7_DC8B12BB04620.40BB04
081k4s_B_DC8_5IU9B12BB04550.43BB04
091k4s_C_SPT11_DG12BBBBB00340.42BB00
101k4s_C_DG12_DA13BBBBB00670.28BB00
111k4s_C_DA13_DA14BBBBB00730.25BB00
121k4s_C_DA14_DA15miBBB10650.48BB10
131k4s_C_DA15_DA16BBBBB00890.17BB00
141k4s_C_DA16_DA17B12BB04860.19BB04
151k4s_C_DA17_5IU18NANNANT00.34BB02
161k4s_C_5IU18_5IU19BBBBB00580.30BB00
171k4s_C_5IU19_5IU20BBwBB02860.21BB02
181k4s_C_5IU20_5IU21BBBBB00660.27BB00
191k4s_C_5IU21_DT22B12BB04420.47BB04
201k4s_D_DA101_DA102BBBBB00210.41BB00
211k4s_D_DA102_DA103NANNANT00.51BB00
221k4s_D_DA103_DA104BBBBB00400.38BB00
231k4s_D_DA104_DA105B12BB04750.25BB04
241k4s_D_DA105_DT106NANNANT00.43BB02
251k4s_D_DT106_5IU107NANNANT00.35BB02
261k4s_D_5IU107_5IU108BBBBB00390.37BB00
271k4s_D_5IU108_5IU109BBwBB02520.26BB02
281k4s_D_5IU109_5IU110BBwBB02490.29BB02
291k4s_D_5IU110_DC111BBBBB00750.25BB00
301k4s_D_DC111_DA112BBBBB00670.27BB00
311k4s_D_DA112_DA113BB2BB07450.22BB07
321k4s_D_DA113_DA114BBBBB00600.20BB00
331k4s_D_DA114_DG115BBwBB02860.19BB02
341k4s_D_DG115_5IU116BBBBB00700.26BB00
351k4s_D_5IU116_DC117BBwBB02780.16BB02
361k4s_D_DC117_5IU118BBwBB03690.36BB03
371k4s_D_5IU118_5IU119NANNANT00.61BB02
381k4s_D_5IU119_5IU120BBBBB00510.31BB00
391k4s_D_5IU120_5IU121BBBBB00730.24BB00
401k4s_D_5IU121_DT122miBBB10630.44BB10

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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