Fluorine in PDB 4z4q: Quinazolinedione(Pd 0305970)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae

All present enzymatic activity of Quinazolinedione(Pd 0305970)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae:
5.99.1.3;

The structure of Quinazolinedione(Pd 0305970)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae, PDB code: 4z4q 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)	44.59 / 3.04
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	158.020, 158.020, 211.220, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 20.5

The structure of Quinazolinedione(Pd 0305970)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Fluorine atom in the Quinazolinedione(Pd 0305970)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae (pdb code 4z4q). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Quinazolinedione(Pd 0305970)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae, PDB code: 4z4q:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Quinazolinedione(Pd 0305970)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Quinazolinedione(Pd 0305970)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ F:F101 b:80.5 occ:1.00 F7 F:PDQ101 0.0 80.5 1.0 C6 F:PDQ101 1.4 72.6 1.0 H42 F:PDQ101 2.2 83.4 1.0 C4 F:PDQ101 2.4 74.8 1.0 C8 F:PDQ101 2.5 71.0 1.0 H4 F:PDQ101 2.6 89.8 1.0 C42 F:PDQ101 2.9 69.5 1.0 N33 F:PDQ101 2.9 70.0 1.0 N1 F:DC4 2.9 72.4 1.0 C2 F:DC4 3.0 74.8 1.0 C6 F:DC4 3.1 71.5 1.0 N7 F:DG5 3.2 63.9 1.0 H42A F:PDQ101 3.3 83.4 1.0 N3 F:DC4 3.3 75.7 1.0 C5 F:DG5 3.3 71.5 1.0 C5 F:DC4 3.4 68.3 1.0 C8 F:DG5 3.4 75.0 1.0 C4 F:DC4 3.5 70.9 1.0 C1' F:DC4 3.6 73.7 1.0 O2 F:DC4 3.6 78.5 1.0 C2' F:DC4 3.7 75.7 1.0 C10 F:PDQ101 3.8 71.8 1.0 C4 F:DG5 3.8 71.5 1.0 N9 F:DG5 3.8 73.2 1.0 C3 F:PDQ101 3.8 75.9 1.0 C6 F:DG5 3.9 77.8 1.0 C39 F:PDQ101 4.2 67.9 1.0 C34 F:PDQ101 4.2 67.6 1.0 O6 F:DG5 4.3 80.8 1.0 C12 F:PDQ101 4.3 74.5 1.0 N4 F:DC4 4.4 69.2 1.0 H37 F:PDQ101 4.4 82.7 1.0 H39A F:PDQ101 4.4 81.5 1.0 N1 H:DG1 4.5 90.1 1.0 N2 H:DG1 4.5 0.9 1.0 H34 F:PDQ101 4.5 81.1 1.0 O4' F:DG5 4.5 80.8 1.0 C37 F:PDQ101 4.5 68.9 1.0 N3 F:DG5 4.6 74.4 1.0 N1 F:DG5 4.7 79.5 1.0 C1' F:DG5 4.8 74.1 1.0 C2 H:DG1 4.8 92.8 1.0 C2 F:DG5 4.9 82.7 1.0 O4' F:DC4 4.9 76.2 1.0 H29 F:PDQ101 5.0 85.0 1.0 H39 F:PDQ101 5.0 81.5 1.0

Fluorine binding site 2 out of 2 in the Quinazolinedione(Pd 0305970)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Quinazolinedione(Pd 0305970)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ H:F101 b:88.2 occ:1.00 F7 H:PDQ101 0.0 88.2 1.0 C6 H:PDQ101 1.4 73.7 1.0 H42 H:PDQ101 2.3 89.4 1.0 C4 H:PDQ101 2.4 73.5 1.0 C8 H:PDQ101 2.5 72.4 1.0 H4 H:PDQ101 2.6 88.2 1.0 C42 H:PDQ101 2.9 74.5 1.0 N33 H:PDQ101 2.9 74.7 1.0 N1 H:DT4 3.0 73.0 1.0 C2 H:DT4 3.0 72.5 1.0 N7 H:DA5 3.1 62.8 1.0 H42A H:PDQ101 3.1 89.4 1.0 C8 H:DA5 3.3 70.3 1.0 C6 H:DT4 3.3 75.5 1.0 N3 H:DT4 3.3 67.0 1.0 O2 H:DT4 3.5 68.3 1.0 C5 H:DA5 3.5 69.6 1.0 C1' H:DT4 3.5 77.0 1.0 C2' H:DT4 3.6 73.2 1.0 C5 H:DT4 3.6 64.7 1.0 C4 H:DT4 3.6 64.4 1.0 N9 H:DA5 3.7 71.3 1.0 C10 H:PDQ101 3.8 71.5 1.0 C4 H:DA5 3.9 67.5 1.0 C3 H:PDQ101 3.9 82.1 1.0 C6 H:DA5 4.2 73.2 1.0 C39 H:PDQ101 4.3 75.1 1.0 O4' H:DA5 4.3 88.5 1.0 C34 H:PDQ101 4.3 72.6 1.0 H37 H:PDQ101 4.4 92.3 1.0 C12 H:PDQ101 4.4 71.3 1.0 O4 H:DT4 4.5 70.8 1.0 N1 F:DA1 4.6 77.2 1.0 H39A H:PDQ101 4.6 90.1 1.0 C1' H:DA5 4.6 80.0 1.0 N6 H:DA5 4.6 65.4 1.0 C37 H:PDQ101 4.6 76.9 1.0 H34 H:PDQ101 4.7 87.2 1.0 N3 H:DA5 4.8 71.0 1.0 C5' H:DA5 4.9 76.1 1.0 O4' H:DT4 4.9 87.6 1.0 C2 F:DA1 4.9 76.9 1.0 H29 H:PDQ101 5.0 84.4 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.