Home or other PDB ID
 
 
 
 
 
 
 
 
 
Selection mode
 
 
 
 
 
 
Conformers: ABBIImiBZICOPNSYNN
Click the Summary/Torsions/Similar/... tabs for more details.
Structure of Human PARP-1 bound to a DNA double strand break in complex with (2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide

Results of the assignment of 50 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

Your browser does not support the HTML5 canvas tag.
Your browser does not support the HTML5 canvas tag.
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
014oqa_M_DG1_DC2A-BAB05200.27 AB05
024oqa_M_DC2_DC3BBBBB00260.23 BB00
034oqa_M_DC3_DT4BBBBB00860.23 BB00
044oqa_M_DT4_DA5BB2BB07920.12 BB07
054oqa_M_DA5_DC6BBBBB00860.18 BB00
064oqa_M_DC6_DC7BBBBB00890.16 BB00
074oqa_M_DC7_DG8BBBBB01160.45 BB01
084oqa_M_DG8_DG9NANNANT00.34 AB02
094oqa_M_DG9_DT10B-ABA01220.22 BA01
104oqa_M_DT10_DT11BBBBB01380.29 BB01
114oqa_M_DT11_DC12BBBBB00570.19 BB00
124oqa_M_DC12_DG13BBBBB00830.18 BB00
134oqa_M_DG13_DC14BBBBB00800.20 BB00
144oqa_M_DC14_DG15B12BB04670.23 BB04
154oqa_M_DG15_DA16BBBBB00720.34 BB00
164oqa_M_DA16_DA17miBBB15510.33 BB15
174oqa_M_DA17_DC18BB2BB07290.34 BB07
184oqa_M_DC18_DC19miBBB15470.30 BB15
194oqa_M_DC19_DG20B12BB04810.22 BB04
204oqa_M_DG20_DG21miBBB10550.29 BB10
214oqa_M_DG21_DT22BBBBB00820.24 BB00
224oqa_M_DT22_DA23B12BB04480.34 BB04
234oqa_M_DA23_DG24NANNANT00.42 BB08
244oqa_M_DG24_DG25miBBB15640.27 BB15
254oqa_M_DG25_DC26B-ABA05770.26 BA05
264oqa_N_DG1_DC2NANNANT00.36 AA10
274oqa_N_DC2_DC3A-BAB01140.46 AB01
284oqa_N_DC3_DT4BBBBB00840.27 BB00
294oqa_N_DT4_DA5BB2BB07920.09 BB07
304oqa_N_DA5_DC6BBBBB00830.21 BB00
314oqa_N_DC6_DC7BBBBB00880.17 BB00
324oqa_N_DC7_DG8BBBBB00610.41 BB00
334oqa_N_DG8_DG9BBBBB00780.14 BB00
344oqa_N_DG9_DT10B-ABA08800.28 BA08
354oqa_N_DT10_DT11BBBBB01480.24 BB01
364oqa_N_DT11_DC12BBBBB00530.19 BB00
374oqa_N_DC12_DG13BBBBB00830.19 BB00
384oqa_N_DG13_DC14BBBBB00800.20 BB00
394oqa_N_DC14_DG15B12BB04630.25 BB04
404oqa_N_DG15_DA16BBBBB00700.35 BB00
414oqa_N_DA16_DA17BBBBB00140.19 BB00
424oqa_N_DA17_DC18B12BB04330.33 BB04
434oqa_N_DC18_DC19miBBB15460.32 BB15
444oqa_N_DC19_DG20B12BB04820.25 BB04
454oqa_N_DG20_DG21B12BB04280.18 BB04
464oqa_N_DG21_DT22BBBBB00800.26 BB00
474oqa_N_DT22_DA23BB2BB07710.20 BB07
484oqa_N_DA23_DG24BBBBB00610.21 BB00
494oqa_N_DG24_DG25miBBB15680.26 BB15
504oqa_N_DG25_DC26B-ABA05760.27 BA05
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).

Browse conformers

Return up to random steps in PDB structures ( include large structures )

Show




Color by conformation group (pyramids)

group
visible

Color by NtC (balls)

A
A-B
B-A
B
IC
OPN
Z
N