Chlorine in PDB 7vc5: Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Febrifugine (Ff) at 1.61 A Resolution

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Febrifugine (Ff) at 1.61 A Resolution, PDB code: 7vc5 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)	53.56 / 1.61
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.194, 73.092, 74.936, 90, 111.57, 90
R / Rfree (%)	16.5 / 19.6

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Febrifugine (Ff) at 1.61 A Resolution also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Febrifugine (Ff) at 1.61 A Resolution (pdb code 7vc5). 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 Febrifugine (Ff) at 1.61 A Resolution, PDB code: 7vc5:
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 Febrifugine (Ff) at 1.61 A Resolution


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 Febrifugine (Ff) at 1.61 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl911 b:32.2 occ:0.67 O7' A:9SF902 3.0 29.6 0.9 NH1 A:ARG470 3.3 34.2 1.0 NH2 A:ARG470 3.5 31.6 1.0 C21 A:9SF902 3.5 35.6 0.9 O4' A:9SF902 3.6 32.5 0.9 C39 A:9SF902 3.6 32.5 0.9 C1' A:9SF902 3.6 38.0 0.9 C24 A:1TI901 3.7 30.7 0.9 C25 A:1TI901 3.8 34.9 0.9 C2 A:9SF902 3.8 35.0 0.9 CZ A:ARG470 3.8 33.9 1.0 C23 A:1TI901 4.1 32.0 0.9 N3 A:9SF902 4.1 33.8 0.9 C3' A:9SF902 4.1 35.1 0.9 C19 A:1TI901 4.3 30.2 0.9 C2' A:9SF902 4.4 30.8 0.9 C18 A:1TI901 4.6 30.8 0.9 N1 A:9SF902 4.7 38.5 0.9 C4' A:9SF902 4.7 34.2 0.9 CZ3 A:TRP487 4.8 31.6 1.0 C20 A:1TI901 4.8 28.8 0.9 CL A:CL912 5.0 65.2 1.0

Chlorine binding site 2 out of 2 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor T35 and Febrifugine (Ff) at 1.61 A Resolution


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 Febrifugine (Ff) at 1.61 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl912 b:65.2 occ:0.97 O A:HOH1184 3.1 54.1 1.0 CZ A:PHE415 3.7 75.3 0.9 O A:HOH1167 3.7 50.8 1.0 C1' A:9SF902 3.7 38.0 0.9 CD1 A:PHE534 3.9 33.0 1.0 CA A:PHE534 4.0 37.5 1.0 N3 A:9SF902 4.3 33.8 0.9 CE2 A:PHE415 4.4 73.1 0.9 CB A:PHE534 4.4 35.5 1.0 C2 A:9SF902 4.4 35.0 0.9 CG A:PHE534 4.5 37.7 1.0 N A:PHE534 4.6 36.2 1.0 O A:LYS533 4.7 39.1 1.0 CE1 A:PHE415 4.7 73.7 0.9 CE1 A:PHE534 4.7 39.8 1.0 C A:LYS533 4.9 39.0 1.0 CL A:CL911 5.0 32.2 0.7 N A:ALA535 5.0 40.4 1.0

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