Fluorine in PDB 3foe: Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases

The structure of Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases, PDB code: 3foe was solved by I.Laponogov, M.K.Sohi, D.A.Veselkov, X.-S.Pan, R.Sawhney, A.W.Thompson, K.E.Mcauley, 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)	36.10 / 4.00
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	121.676, 121.676, 179.393, 90.00, 90.00, 120.00
R / Rfree (%)	25.8 / 31.3

The structure of Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases (pdb code 3foe). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases, PDB code: 3foe:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases within 5.0Å range: probe atom residue distance (Å) B Occ F:F0 b:0.3 occ:1.00 F F:NFX0 0.0 0.3 1.0 C15 F:NFX0 1.4 1.0 1.0 C17 F:NFX0 2.4 0.6 1.0 H04 F:NFX0 2.5 0.7 1.0 C11 F:NFX0 2.5 0.5 1.0 H17 F:NFX0 2.6 0.3 1.0 O4' F:DA1 2.9 0.2 1.0 N01 F:NFX0 3.0 0.4 1.0 C04 F:NFX0 3.0 0.9 1.0 H04A F:NFX0 3.2 0.7 1.0 C4 F:DA1 3.5 0.8 1.0 N3 F:DA1 3.5 0.2 1.0 H01 F:NFX0 3.6 0.3 1.0 N9 F:DA1 3.6 1.0 1.0 C13 F:NFX0 3.8 0.7 1.0 C1' F:DA1 3.8 0.2 1.0 C14 F:NFX0 3.8 0.5 1.0 C5' F:DA1 3.9 0.6 1.0 C4' F:DA1 4.0 0.4 1.0 C5 F:DA1 4.1 0.3 1.0 C2 F:DA1 4.1 0.1 1.0 C8 F:DA1 4.3 0.1 1.0 C03 F:NFX0 4.3 0.4 1.0 C12 F:NFX0 4.3 0.7 1.0 C02 F:NFX0 4.4 0.2 1.0 N7 F:DA1 4.6 0.4 1.0 C01 F:NFX0 4.6 0.6 1.0 H03 F:NFX0 4.7 0.9 1.0 N1 F:DA1 4.7 0.7 1.0 C6 F:DA1 4.7 0.1 1.0

Fluorine binding site 2 out of 2 in the Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases within 5.0Å range: probe atom residue distance (Å) B Occ H:F0 b:0.5 occ:1.00 F H:NFX0 0.0 0.5 1.0 C15 H:NFX0 1.4 0.3 1.0 C17 H:NFX0 2.3 0.8 1.0 H03 H:NFX0 2.3 1.0 1.0 C11 H:NFX0 2.5 0.8 1.0 H17 H:NFX0 2.6 1.0 1.0 C03 H:NFX0 2.8 0.1 1.0 H03A H:NFX0 2.8 1.0 1.0 N01 H:NFX0 3.0 0.5 1.0 N3 H:DG1 3.5 0.8 1.0 O4' H:DG1 3.5 0.5 1.0 C4 H:DG1 3.6 0.4 1.0 C13 H:NFX0 3.8 0.6 1.0 C14 H:NFX0 3.8 0.9 1.0 C2 H:DG1 3.8 1.0 1.0 N9 H:DG1 4.0 0.6 1.0 C5 H:DG1 4.1 0.6 1.0 H01 H:NFX0 4.2 0.7 1.0 C01 H:NFX0 4.2 0.8 1.0 N1 H:DG1 4.3 0.2 1.0 C04 H:NFX0 4.3 0.8 1.0 C12 H:NFX0 4.3 0.3 1.0 N2 H:DG1 4.4 0.0 1.0 C1' H:DG1 4.4 0.3 1.0 C6 H:DG1 4.5 0.2 1.0 C4' H:DG1 4.5 1.0 1.0 H04 H:NFX0 4.6 0.2 1.0 C02 H:NFX0 4.6 0.1 1.0 C8 H:DG1 4.7 0.1 1.0 C5' H:DG1 4.7 0.7 1.0 N7 H:DG1 4.8 0.9 1.0 C19 H:NFX0 5.0 0.2 1.0

I.Laponogov, M.K.Sohi, D.A.Veselkov, X.-S.Pan, R.Sawhney, A.W.Thompson, K.E.Mcauley, L.M.Fisher, M.R.Sanderson. Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases Nat.Struct.Mol.Biol. V. 16 667 2009.
ISSN: ISSN 1545-9993
PubMed: 19448616
DOI: 10.1038/NSMB.1604