A Portal for Three-dimensional Structural Information about Nucleic Acids
As of 22-Sep-2021 number of released structures: 11699
Search for released structures

NDB ID: 6QX2    PDB ID: 6QX2 


Title:

3.4A STRUCTURE OF BENZOISOXAZOLE 3 WITH S.AUREUS DNA GYRASE AND DNA

Molecular Description:

DNA gyrase subunit B
DNA gyrase subunit A/DNA Complex

Deposited:

2019-03-06

Released:

2019-04-17

Structural Keywords:

RH DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 3 nucleic acid sequences

Protein Sequence:

Click to show/hide 9 protein sequences

Primary Citation:

Thalji, R.K., Raha, K., Andreotti, D., Checchia, A., Cui, H., Meneghelli, G., Profeta, R., Tonelli, F., Tommasi, S., Bakshi, T., Donovan, B.T., Howells, A., Jain, S., Nixon, C., Quinque, G., McCloskey, L., Bax, B.D., Neu, M., Chan, P.F., Stavenger, R.A.
Structure-guided design of antibacterials that allosterically inhibit DNA gyrase. 
Bioorg.Med.Chem.Lett., 29, pp. 1407 - 1412, 2019.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 1 21 1

Cell Constants:

a = 187.64   b = 410.12   c = 93.94 (Ångstroms)

α = 90.0   β = 120.22   γ = 90.0 (degrees)

Refinement:

The structure was refined using the REFMAC program. The R value is 0.17787 for 128993 reflections in the resolution range 162.15 to 3.4 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)