Chlorine 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:

Fluorine

(F)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases, PDB code: 3foe:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl0 b:0.6 occ:1.00 CL F:NFX0 0.0 0.6 1.0 C13 F:NFX0 1.8 0.7 1.0 H06 F:NFX0 2.5 0.8 1.0 H03 F:NFX0 2.7 0.9 1.0 C11 F:NFX0 2.7 0.5 1.0 H03A F:NFX0 2.8 0.9 1.0 C06 F:NFX0 2.9 0.2 1.0 C12 F:NFX0 2.9 0.7 1.0 C03 F:NFX0 3.0 0.4 1.0 N6 H:DA5 3.0 0.5 1.0 H09 F:NFX0 3.0 0.6 1.0 N01 F:NFX0 3.1 0.4 1.0 C09 F:NFX0 3.2 0.0 1.0 N F:NFX0 3.3 0.9 1.0 H09A F:NFX0 3.6 0.6 1.0 C6 H:DA5 3.6 0.4 1.0 N6 F:DA1 3.7 0.2 1.0 C6 F:DA1 4.1 0.1 1.0 O4 H:DT4 4.1 0.4 1.0 C14 F:NFX0 4.2 0.5 1.0 C08 F:NFX0 4.2 0.3 1.0 C15 F:NFX0 4.2 1.0 1.0 C5 H:DA5 4.2 0.8 1.0 N1 H:DA5 4.3 0.2 1.0 O4 G:DT15 4.3 0.6 1.0 C04 F:NFX0 4.3 0.9 1.0 H01 F:NFX0 4.4 0.3 1.0 C01 F:NFX0 4.4 0.6 1.0 N1 F:DA1 4.5 0.7 1.0 N7 H:DA5 4.5 0.6 1.0 H04A F:NFX0 4.5 0.7 1.0 H08A F:NFX0 4.6 1.0 1.0 C02 F:NFX0 4.6 0.2 1.0 C4 H:DT4 4.7 0.4 1.0 C17 F:NFX0 4.7 0.6 1.0 C5 F:DA1 4.7 0.3 1.0 C4 G:DT15 4.8 0.9 1.0 C16 F:NFX0 4.9 0.9 1.0 N3 G:DT15 4.9 0.5 1.0 N3 H:DT4 4.9 0.6 1.0 H08 F:NFX0 5.0 1.0 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl0 b:0.5 occ:1.00 CL H:NFX0 0.0 0.5 1.0 C13 H:NFX0 1.8 0.6 1.0 H06 H:NFX0 2.5 0.4 1.0 H04A H:NFX0 2.6 0.2 1.0 C11 H:NFX0 2.8 0.8 1.0 C06 H:NFX0 2.9 0.2 1.0 H04 H:NFX0 2.9 0.2 1.0 C12 H:NFX0 2.9 0.3 1.0 N6 F:DA5 2.9 0.3 1.0 C04 H:NFX0 2.9 0.8 1.0 N01 H:NFX0 3.1 0.5 1.0 H09 H:NFX0 3.1 0.7 1.0 N4 F:DC4 3.2 0.5 1.0 C09 H:NFX0 3.3 0.2 1.0 N H:NFX0 3.3 0.8 1.0 O6 H:DG1 3.3 0.9 1.0 C6 F:DA5 3.7 0.9 1.0 H09A H:NFX0 3.7 0.7 1.0 C6 H:DG1 3.9 0.2 1.0 C4 F:DC4 4.0 0.6 1.0 H01 H:NFX0 4.0 0.7 1.0 C14 H:NFX0 4.1 0.9 1.0 C5 F:DA5 4.2 0.3 1.0 C15 H:NFX0 4.2 0.3 1.0 C08 H:NFX0 4.2 0.3 1.0 N7 F:DA5 4.2 0.3 1.0 N1 H:DG1 4.4 0.2 1.0 N3 F:DC4 4.4 0.1 1.0 O4 E:DT15 4.4 0.0 1.0 C02 H:NFX0 4.5 0.1 1.0 N1 F:DA5 4.5 0.4 1.0 C03 H:NFX0 4.5 0.1 1.0 H08A H:NFX0 4.6 0.6 1.0 C17 H:NFX0 4.7 0.8 1.0 C5 H:DG1 4.8 0.6 1.0 C5 F:DC4 4.8 0.3 1.0 C16 H:NFX0 4.8 0.3 1.0 C01 H:NFX0 5.0 0.8 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