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Conformers: ABBIImiBZICOPNSYNN
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NMR STRUCTURE OF DNA (5'-D(TTGGCCAA)2-3') COMPLEXED WITH NOVEL ANTITUMOR DRUG UCH9

Results of the assignment of 14 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 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 numberStep nameCANANtCconfalrmsd
011cp8_A_DT1_DT2BBBBB00600.35 BB00
021cp8_A_DT2_DG3BBBBB00370.39 BB00
031cp8_A_DG3_DG4BBBBB01430.20 BB01
041cp8_A_DG4_DC5B-ABA01170.27 BA01
051cp8_A_DC5_DC6AAAAA00360.36 AA00
061cp8_A_DC6_DA7A-BAB03750.48 AB03
071cp8_A_DA7_DA8BBBBB01790.26 BB01
081cp8_B_DT1_DT2BBBBB00600.35 BB00
091cp8_B_DT2_DG3BBBBB00370.39 BB00
101cp8_B_DG3_DG4BBBBB01430.20 BB01
111cp8_B_DG4_DC5B-ABA01200.27 BA01
121cp8_B_DC5_DC6AAAAA00370.36 AA00
131cp8_B_DC6_DA7A-BAB03750.48 AB03
141cp8_B_DA7_DA8BBBBB01790.26 BB01

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.
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).

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