Chlorine in PDB 7f9v: Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Halofuginone

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Halofuginone, PDB code: 7f9v was solved by Y.Manickam, N.Malhotra, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.07 / 1.82
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.067, 82.981, 105.521, 90, 103.08, 90
R / Rfree (%)	17.2 / 19.7

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Halofuginone also contains other interesting chemical elements:

Fluorine	(F)	5 atoms
Bromine	(Br)	8 atoms
Iodine	(I)	10 atoms

The binding sites of Chlorine atom in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Halofuginone (pdb code 7f9v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Halofuginone, PDB code: 7f9v:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Halofuginone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Halofuginone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:51.6 occ:0.89 CL1 A:HFG902 0.0 51.6 0.9 C6 A:HFG902 1.7 46.8 0.9 C5 A:HFG902 2.7 38.4 0.9 C7 A:HFG902 2.7 57.6 0.9 BR1 A:HFG902 3.3 86.8 0.9 CG2 A:VAL419 3.7 55.1 1.0 O A:HOH1274 3.8 50.6 0.3 CG A:PRO438 3.8 36.4 1.0 CB A:PHE415 3.8 80.5 0.8 O A:HOH1226 3.9 58.4 1.0 C10 A:HFG902 4.0 37.0 0.9 O A:HOH1279 4.0 37.9 1.0 C8 A:HFG902 4.0 49.1 0.9 O A:HOH1274 4.1 45.2 0.7 CG A:PHE415 4.5 76.5 0.8 CD1 A:LEU405 4.5 47.3 1.0 CB A:PRO438 4.5 35.2 1.0 C9 A:HFG902 4.5 43.0 0.9 O A:PHE415 4.5 78.6 0.8 C A:PHE415 4.5 83.8 0.8 CD2 A:PHE415 4.6 75.5 0.8 CA A:PHE415 4.8 79.8 0.8 N A:SER416 4.9 92.0 1.0 CD A:PRO438 5.0 33.3 1.0

Chlorine binding site 2 out of 2 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Halofuginone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Halofuginone within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl903 b:58.1 occ:1.00 CL1 B:HFG903 0.0 58.1 1.0 C6 B:HFG903 1.7 54.5 1.0 C5 B:HFG903 2.7 47.2 1.0 C7 B:HFG903 2.7 67.8 1.0 BR1 B:HFG903 3.3 113.8 1.0 CG B:PRO438 3.6 47.5 1.0 C10 B:HFG903 4.0 50.4 1.0 C8 B:HFG903 4.0 51.6 1.0 O B:HOH1212 4.1 66.1 1.0 O B:HOH1256 4.1 45.0 1.0 CD1 B:LEU405 4.2 50.5 1.0 CG2 B:VAL419 4.3 70.4 1.0 CB B:PRO438 4.4 47.0 1.0 C9 B:HFG903 4.5 50.3 1.0 CG B:LEU405 4.8 60.5 1.0 CD B:PRO438 4.8 35.4 1.0 CD2 B:LEU405 4.9 62.5 1.0

N.Malhotra, Y.Manickam, A.Sharma. Tgprs with Double Inhibitors To Be Published.