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

©Jiří Černý & Bohdan Schneider

The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing

Results of the assignment of 26 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
012jei_P_DG1_DG2NANNANT00.72AA01
022jei_P_DG2_DG3NANNANT01.16OP22
032jei_P_DG3_DG4BBwBB02540.37BB02
042jei_P_DG4_DG5BBBBB00700.22BB00
052jei_P_DG5_DA6B12BB04880.15BB04
062jei_P_DA6_DA7BBwBB02270.39BB02
072jei_P_DA7_DG8BBBBB00690.36BB00
082jei_P_DG8_DG9B12BB04670.25BB04
092jei_P_DG9_DA10BBBBB00770.25BB00
102jei_P_DA10_DT11BBwBB02880.16BB02
112jei_P_DT11_DT12BBBBB00800.18BB00
122jei_P_DT12_DC13NANNANT00.28BB15
132jei_P_DC13_DT14BBBBB00260.42BB00
142jei_T_DA3_DC4NANNANT01.89IC03
152jei_T_DG6_DA7BBBBB00810.23BB00
162jei_T_DA7_DA8B12BB04760.23BB04
172jei_T_DA8_DT9BBBBB00870.16BB00
182jei_T_DT9_DC10BBBBB00770.20BB00
192jei_T_DC10_DC11BBBBB00660.30BB00
202jei_T_DC11_DT12BBBBB00740.14BB00
212jei_T_DT12_DT13BBBBB00900.15BB00
222jei_T_DT13_DC14B12BB04340.38BB04
232jei_T_DC14_DC15BBBBB00790.20BB00
242jei_T_DC15_DC16BBBBB00690.32BB00
252jei_T_DC16_DC17BBBBB00670.32BB00
262jei_T_DC17_DC18NANNANT00.58BB02

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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