Fluorine in PDB 7f9q: Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Febrifugine

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Febrifugine, PDB code: 7f9q 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)	19.94 / 2.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.479, 76.479, 407.543, 90, 90, 90
R / Rfree (%)	19.2 / 27.4

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Febrifugine also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Fluorine atom in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Febrifugine (pdb code 7f9q). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Febrifugine, PDB code: 7f9q:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Febrifugine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Febrifugine within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:67.3 occ:0.92 F A:1XK901 0.0 67.3 0.9 C10 A:1XK901 1.4 61.1 0.9 C11 A:1XK901 2.3 59.9 0.9 C9 A:1XK901 2.3 54.3 0.9 CB A:PRO476 3.2 71.8 1.0 CA A:PRO476 3.3 69.5 1.0 O A:LYS474 3.4 69.7 1.0 N A:PRO476 3.5 63.9 1.0 O A:ARG481 3.5 70.3 1.0 C12 A:1XK901 3.6 60.0 0.9 C8 A:1XK901 3.6 54.1 0.9 CD A:PRO476 3.9 60.8 1.0 CG A:ARG483 3.9 72.3 1.0 C A:GLN475 3.9 66.9 1.0 CG A:PRO476 4.0 70.3 1.0 C13 A:1XK901 4.1 60.8 0.9 O A:GLN475 4.2 75.9 1.0 NE A:ARG483 4.3 95.8 1.0 C A:LYS474 4.3 71.6 1.0 O A:GLU472 4.3 95.6 1.0 C A:ARG481 4.3 63.6 1.0 CD A:ARG483 4.4 87.2 1.0 C A:THR482 4.4 54.0 1.0 CA A:THR482 4.5 56.4 1.0 N A:ARG483 4.5 47.4 1.0 CA A:GLN475 4.7 73.2 1.0 N A:THR482 4.7 57.3 1.0 C A:PRO476 4.7 68.6 1.0 CA A:GLY363 4.7 91.7 1.0 C14 A:1XK901 4.8 62.4 0.9 C7 A:1XK901 4.8 49.4 0.9 O A:THR482 4.9 57.1 1.0 N A:GLN475 4.9 71.2 1.0

Fluorine binding site 2 out of 2 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Febrifugine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Febrifugine within 5.0Å range: probe atom residue distance (Å) B Occ B:F901 b:73.9 occ:0.88 F B:1XK901 0.0 73.9 0.9 C10 B:1XK901 1.4 63.9 0.9 C9 B:1XK901 2.3 57.0 0.9 C11 B:1XK901 2.3 65.7 0.9 CB B:PRO476 3.1 58.7 1.0 CA B:PRO476 3.3 67.8 1.0 O B:LYS474 3.4 78.3 1.0 N B:PRO476 3.4 82.5 1.0 C8 B:1XK901 3.6 63.3 0.9 C12 B:1XK901 3.6 66.7 0.9 O B:ARG481 3.7 68.6 1.0 CD B:PRO476 3.7 81.0 1.0 NH2 B:ARG483 3.8 106.1 1.0 NE B:ARG483 3.8 106.5 1.0 C B:GLN475 3.9 83.0 1.0 CG B:PRO476 3.9 71.9 1.0 CZ B:ARG483 3.9 107.8 1.0 C13 B:1XK901 4.1 68.1 0.9 O B:GLN475 4.1 74.7 1.0 CG B:ARG483 4.2 88.9 1.0 O B:GLU472 4.3 86.5 1.0 C B:LYS474 4.3 81.7 1.0 C B:ARG481 4.5 76.0 1.0 N B:ARG483 4.5 69.1 1.0 CD B:ARG483 4.6 95.5 1.0 C B:THR482 4.7 66.1 1.0 CA B:THR482 4.7 70.8 1.0 CA B:GLN475 4.7 80.2 1.0 C B:PRO476 4.7 71.4 1.0 NH1 B:ARG483 4.7 102.9 1.0 C7 B:1XK901 4.8 52.9 0.9 C14 B:1XK901 4.8 76.8 0.9 N B:THR482 4.9 68.2 1.0 CA B:GLY363 4.9 90.6 1.0 N B:GLN475 4.9 87.6 1.0

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