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Conformers: ABBIImiBZICOPNSYNN
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The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA

Results of the assignment of 35 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
012xcs_E_DG2_DC3B-ABA17950.23 BA17
022xcs_E_DC3_DC4AAAAA02610.30 AA02
032xcs_E_DC4_DG5NANNANT00.40 AB04
042xcs_E_DG5_DT6BB2BB08800.34 BB08
052xcs_E_DT6_DA7B-ABA10300.42 BA10
062xcs_E_DA7_DG8AAAAA00620.26 AA00
072xcs_E_DG8_DG9AAAAA00810.25 AA00
082xcs_E_DG9_DG10NANNANT00.36 AB05
092xcs_E_DG10_DC11NANNANT00.77 IC06
102xcs_E_DC11_DC12BBBBB00870.27 BB00
112xcs_E_DC12_DC13NANNANT00.45 BA08
122xcs_E_DC13_DT14AAAAA00460.24 AA00
132xcs_E_DT14_DA15A-BAB04730.29 AB04
142xcs_E_DA15_DC16B-ABA05540.32 BA05
152xcs_E_DC16_DG17NANNANT00.42 AB01
162xcs_E_DG17_DG18BBBBB00910.14 BB00
172xcs_E_DG18_DC19B-ABA08460.30 BA08
182xcs_E_DC19_DT20AAAAA00570.35 AA00
192xcs_F_DG2_DC3B-ABA08890.27 BA08
202xcs_F_DC3_DC4AAAAA02630.33 AA02
212xcs_F_DC4_DG5A-BAB01270.49 AB01
222xcs_F_DG5_DT6BB2BB08800.31 BB08
232xcs_F_DT6_DA7B-ABA10300.41 BA10
242xcs_F_DA7_DG8AAAAA00690.26 AA00
252xcs_F_DG8_DG9AAAAA00870.24 AA00
262xcs_F_DG9_DG10NANNANT00.48 AA08
272xcs_F_DG10_DC11NANNANT00.53 IC03
282xcs_F_DC11_DC12BBBBB01600.24 BB01
292xcs_F_DC12_DC13B-ABA01130.28 BA01
302xcs_F_DC13_DT14AAAAA00670.32 AA00
312xcs_F_DT14_DA15A-BAB04520.37 AB04
322xcs_F_DA15_DC16B-ABA05570.32 BA05
332xcs_F_DC16_DG17NANNANT00.45 AB01
342xcs_F_DG17_DG18BBBBB00850.17 BB00
352xcs_F_DG18_DC19NANNANT00.47 BA08

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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