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NDB ID: 6WAA    PDB ID: 6WAA 


Title:

K. PNEUMONIAE TOPOISOMERASE IV (PARE-PARC) IN COMPLEX WITH DNA AND COMPOUND 34 (7-[(1S,5R)-1-AMINO-3-AZABICYCLO[3.1.0]HEXAN-3-YL]-4-(AMINOMETHYL)-1-CYCLOPROPYL-3,6-DIFLUORO-8-METHYLQUINOLIN-2(1H)-ONE)

Molecular Description:

DNA topoisomerase 4 subunit B
DNA topoisomerase (ATP-hydrolyzing)/DNA Complex

Deposited:

2020-03-24

Released:

2020-07-15

Structural Keywords:

B DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 2 nucleic acid sequences

Protein Sequence:

Click to show/hide 1 protein sequences

Primary Citation:

Skepper, C.K., Armstrong, D., Balibar, C.J., Bauer, D., Bellamacina, C., Benton, B.M., Bussiere, D., De Pascale, G., De Vicente, J., Dean, C.R., Dhumale, B., Fisher, L.M., Fuller, J., Fulsunder, M., Holder, L.M., Hu, C., Kantariya, B., Lapointe, G., Leeds, J.A., Li, X., Lu, P., Lvov, A., Ma, S., Madhavan, S., Malekar, S., McKenney, D., Mergo, W., Metzger, L., Moser, H.E., Mutnick, D., Noeske, J., Osborne, C., Patel, A., Patel, D., Patel, T., Prajapati, K., Prosen, K.R., Reck, F., Richie, D.L., R
Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria. 
J.Med.Chem., 63, pp. 7773 - 7816, 2020.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 1 21 1

Cell Constants:

a = 94.59   b = 157.481   c = 144.06 (Ångstroms)

α = 90.0   β = 94.93   γ = 90.0 (degrees)

Refinement:

The structure was refined using the PHENIX program. The R value is 0.275 for 68999 reflections in the resolution range 82.08 to 3.2 Ångstroms with Fobs >  1.33 sigma(Fobs) and with I >  0.0 sigma(I)