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

©Jiří Černý & Bohdan Schneider

Human DNA Ligase 1 Bound to an Adenylated, dideoxy Terminated DNA nick with 2 mM Mg2+

Results of the assignment of 32 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
016p0a_B_DG3_DC4BBBBB00880.16BB00
026p0a_B_DC4_DT5B-ABA05930.15BA05
036p0a_B_DT5_DG6BBBBB01450.34BB01
046p0a_B_DG6_DA7BBBBB00810.25BB00
056p0a_B_DA7_DT8BBBBB00810.20BB00
066p0a_B_DT8_DG9BB2BB07840.23BB07
076p0a_B_DG9_DC10B-ABA05870.20BA05
086p0a_B_DC10_DG11B-ABA05440.46BA05
096p0a_B_DG11_DT12AAAAA00710.21AA00
106p0a_C_DG1_DT2A-BAB04540.23AB04
116p0a_C_DT2_DC3B-ABA05870.24BA05
126p0a_C_DC3_DG4A-BAB01360.20AB01
136p0a_C_DG4_DG5BBBBB00730.35BB00
146p0a_C_DG5_DA6BBBBB00880.20BB00
156p0a_C_DA6_DC7B-ABA01690.22BA01
166p0a_D_DG9_DT10BBBBB01810.20BB01
176p0a_D_DT10_DC11B-ABA05740.15BA05
186p0a_D_DC11_DC12B-ABA05760.19BA05
196p0a_D_DC12_DG13A-BAB01700.22AB01
206p0a_D_DG13_DA14B-ABA16890.22BA16
216p0a_D_DA14_DC15AAAAA08830.22AA08
226p0a_D_DC15_DG16AAuAA12610.27AA12
236p0a_D_DG16_DA17A-BAB05580.35AB05
246p0a_D_DA17_DC18BBBBB00730.31BB00
256p0a_D_DC18_DG19BB2BB07650.35BB07
266p0a_D_DG19_DC20B12BB04740.24BB04
276p0a_D_DC20_DA21BBBBB00770.23BB00
286p0a_D_DA21_DT22BBBBB00780.20BB00
296p0a_D_DT22_DC23B-ABA08920.15BA08
306p0a_D_DC23_DA24A-BAB01870.15AB01
316p0a_D_DA24_DG25BBBBB00840.30BB00
326p0a_D_DG25_DC26B-ABA01520.30BA01

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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