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NDB ID: 5NPP    PDB ID: 5NPP 


Title:

2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA

Molecular Description:

DNA gyrase subunit B
DNA gyrase subunit A/DNA Complex

Nucleic Acid Sequence:

Click to show/hide 2 nucleic acid sequences

Protein Sequence:

Click to show/hide 1 protein sequences

Primary Citation:

Chan, P.F., Germe, T., Bax, B.D., Huang, J., Thalji, R.K., Bacque, E., Checchia, A., Chen, D., Cui, H., Ding, X., Ingraham, K., McCloskey, L., Raha, K., Srikannathasan, V., Maxwell, A., Stavenger, R.A.
Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase. 
Proc. Natl. Acad. Sci. U.S.A., 114, pp. E4492 - E4500, 2017.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 61

Cell Constants:

a = 92.85   b = 92.85   c = 409.98 (Ångstroms)

α = 90.0   β = 90.0   γ = 120.0 (degrees)

Refinement:

The structure was refined using the REFMAC program. The R value is 0.1841 for 92297 reflections in the resolution range 19.89 to 2.22 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)