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

©Jiří Černý & Bohdan Schneider

Aminofluorene DNA adduct at the pre-insertion site of a DNA polymerase

Results of the assignment of 19 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
011ua0_B_DG21_DG22B-ABA01580.29BA01
021ua0_B_DG22_DG23A-BAB01860.24AB01
031ua0_B_DG23_DA24BBBBB00890.18BB00
041ua0_B_DA24_DT25B-ABA01890.21BA01
051ua0_B_DT25_DG26A-BAB01860.34AB01
061ua0_B_DG26_DG27B-ABA08790.29BA08
071ua0_B_DG27_DT28AAAAA00810.23AA00
081ua0_B_DT28_DG29A-BAB05810.22AB05
091ua0_C_DT2_DG3NANNANT00.87AB2S
101ua0_C_DG3_DC4NANNANT00.94OPS1
111ua0_C_DC4_DA5AAAAA00790.25AA00
121ua0_C_DA5_DC6AAwAA01930.16AA01
131ua0_C_DC6_DC7A-BAB05810.25AB05
141ua0_C_DC7_DA8BBBBB00650.32BB00
151ua0_C_DA8_DT9BBBBB00900.21BB00
161ua0_C_DT9_DC10B-ABA01560.20BA01
171ua0_C_DC10_DC11NANNANT00.47AA01
181ua0_C_DC11_DC12BBBBB00620.46BB00
191ua0_C_DC12_DT13B12BB04900.22BB04

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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