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NDB ID: 5IWM    PDB ID: 5IWM 


Title:

2.5A STRUCTURE OF GSK945237 WITH S.AUREUS DNA GYRASE AND DNA.

Molecular Description:

DNA gyrase subunit A
DNA gyrase subunit B/DNA Complex

Deposited:

2016-03-22

Released:

2016-05-25

Structural Keywords:

DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 2 nucleic acid sequences

Protein Sequence:

Click to show/hide 2 protein sequences

Primary Citation:

Miles, T.J., Hennessy, A.J., Bax, B., Brooks, G., Brown, B.S., Brown, P., Cailleau, N., Chen, D., Dabbs, S., Davies, D.T., Esken, J.M., Giordano, I., Hoover, J.L., Jones, G.E., Kusalakumari Sukmar, S.K., Markwell, R.E., Minthorn, E.A., Rittenhouse, S., Gwynn, M.N., Pearson, N.D.
Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases. 
Bioorg.Med.Chem.Lett., 26, pp. 2464 - 2469, 2016.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 61

Cell Constants:

a = 93.785   b = 93.785   c = 413.35 (Ångstroms)

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

Refinement:

The structure was refined using the REFMAC program. The R value is 0.18209 for 62688 reflections in the resolution range 24.99 to 2.5 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)