Magnesium in PDB 4z2e: Quinolone(Trovafloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae

All present enzymatic activity of Quinolone(Trovafloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae:
5.99.1.3;

The structure of Quinolone(Trovafloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae, PDB code: 4z2e was solved by I.Laponogov, D.A.Veselkov, X.-S.Pan, J.Selvarajah, I.M.-T.Crevel, L.M.Fisher, M.R.Sanderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.05 / 3.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.190, 96.620, 275.210, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 29.2

The structure of Quinolone(Trovafloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Magnesium atom in the Quinolone(Trovafloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae (pdb code 4z2e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Quinolone(Trovafloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae, PDB code: 4z2e:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Quinolone(Trovafloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Quinolone(Trovafloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg102 b:0.3 occ:1.00 O28 F:TR6101 2.0 0.7 1.0 O29 F:TR6101 2.0 0.4 1.0 C23 F:TR6101 2.9 0.0 1.0 C26 F:TR6101 2.9 0.9 1.0 C24 F:TR6101 3.3 0.1 1.0 CB B:SER81 3.9 0.1 1.0 O27 F:TR6101 4.1 0.1 1.0 H211 F:TR6101 4.1 0.7 1.0 C22 F:TR6101 4.2 0.0 1.0 O6 F:DG1 4.2 0.8 1.0 O4 G:DT15 4.3 0.3 1.0 C21 F:TR6101 4.6 0.1 1.0 C6 F:DG1 4.6 0.2 1.0 N7 F:DG1 4.6 0.8 1.0 C25 F:TR6101 4.7 0.9 1.0 C5 F:DG1 4.8 0.2 1.0

Magnesium binding site 2 out of 2 in the Quinolone(Trovafloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Quinolone(Trovafloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg102 b:0.7 occ:1.00 O27 H:TR6101 2.0 0.6 1.0 O29 H:TR6101 2.0 0.5 1.0 C23 H:TR6101 2.9 0.3 1.0 C26 H:TR6101 2.9 0.9 1.0 C24 H:TR6101 3.3 0.3 1.0 O28 H:TR6101 4.1 0.8 1.0 CB A:SER81 4.1 77.7 1.0 C22 H:TR6101 4.2 0.2 1.0 H211 H:TR6101 4.2 0.4 1.0 O6 H:DG1 4.3 0.1 1.0 C21 H:TR6101 4.6 0.5 1.0 C25 H:TR6101 4.7 0.7 1.0 N7 H:DG1 4.7 0.8 1.0 C6 H:DG1 4.9 0.3 1.0

I.Laponogov, D.A.Veselkov, X.-S.Pan, J.Selvarajah, I.M.-T.Crevel, L.M.Fisher, M.R.Sanderson. Structural Studies of the Drug-Stabilized Cleavage Complexes of Topoisomerase IV and Gyrase From Streptococcus Pneumoniae To Be Published.