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Conformers: ABBIImiBZICOPNSYNN
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INHIBITION OF ECORV ENDONUCLEASE BY DEOXYRIBO-3'-S-PHOSPHOROTHIOLATES: A HIGH RESOLUTION X-RAY CRYSTALLOGRAPHIC STUDY

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
011eo3_C_DA2_DA3BBBBB00770.17 BB00
021eo3_C_DA3_DG4BBBBB00750.21 BB00
031eo3_C_DG4_DA5B-ABA16200.23 BA16
041eo3_C_DA7_DT8BBBBB01860.21 BB01
051eo3_C_DT8_DC9BBBBB00580.31 BB00
061eo3_C_DC9_DT10BBBBB00790.21 BB00
071eo3_C_DT10_DT11BBBBB00380.45 BB00
081eo3_D_DC1_DA2B-ABA01270.43 BA01
091eo3_D_DA2_DA3NANNANT00.57 AA02
101eo3_D_DA3_DG4NANNANT00.51 BA05
111eo3_D_DG4_DA5NANNANT00.94 AA05
121eo3_D_DA7_DT8NANNANT00.41 AA01
131eo3_D_DT8_DC9AAAAA00230.51 AA00
141eo3_D_DC9_DT10AAAAA02250.47 AA02

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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