Fluorine in PDB 7vc2: Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L96 and L-Proline in Space Group P21

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L96 and L-Proline in Space Group P21, PDB code: 7vc2 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)	47.42 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.1, 81.62, 104.88, 90, 102.68, 90
R / Rfree (%)	17.7 / 21.8

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L96 and L-Proline in Space Group P21 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L96 and L-Proline in Space Group P21 (pdb code 7vc2). 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 L96 and L-Proline in Space Group P21, PDB code: 7vc2:
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 L96 and L-Proline in Space Group P21


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 L96 and L-Proline in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:68.1 occ:0.92 F A:1UI901 0.0 68.1 0.9 C8 A:1UI901 1.4 57.2 0.9 C9 A:1UI901 2.3 42.5 0.9 C7 A:1UI901 2.3 49.9 0.9 NE A:ARG483 2.8 73.3 1.0 CB A:PRO476 3.2 46.7 1.0 O A:LYS474 3.3 80.3 1.0 NH2 A:ARG483 3.5 67.8 1.0 CZ A:ARG483 3.5 76.7 1.0 CA A:PRO476 3.5 48.6 1.0 C10 A:1UI901 3.6 40.4 0.9 C6 A:1UI901 3.6 49.5 0.9 N A:PRO476 3.7 50.0 1.0 CD A:ARG483 3.7 69.0 1.0 CG A:ARG483 3.8 64.4 1.0 CG A:PRO476 4.0 54.7 1.0 CD A:PRO476 4.0 51.9 1.0 C27 A:1UI901 4.1 43.7 0.9 C A:GLN475 4.2 54.9 1.0 O A:GLU472 4.2 72.7 1.0 C A:LYS474 4.3 80.8 1.0 O A:ARG481 4.4 37.1 1.0 O A:GLN475 4.5 53.1 1.0 N A:ARG483 4.5 42.7 1.0 CA A:GLY363 4.7 63.0 1.0 NH1 A:ARG483 4.7 81.7 1.0 C A:THR482 4.8 40.9 1.0 CB A:GLU472 4.8 71.1 1.0 CB A:ARG483 4.8 46.0 1.0 C A:GLU472 4.8 74.7 1.0 C11 A:1UI901 4.8 41.9 0.9 C4 A:1UI901 4.9 56.9 0.9 CA A:THR482 4.9 42.6 1.0 CA A:ARG483 5.0 38.8 1.0 CA A:GLN475 5.0 67.2 1.0

Fluorine binding site 2 out of 2 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L96 and L-Proline in Space Group P21


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 L96 and L-Proline in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ B:F901 b:97.9 occ:1.00 F B:1UI901 0.0 97.9 1.0 C8 B:1UI901 1.4 93.7 1.0 NH1 B:ARG483 2.3 82.7 1.0 C9 B:1UI901 2.3 90.3 1.0 C7 B:1UI901 2.3 89.8 1.0 O B:LYS474 2.8 77.2 1.0 CZ B:ARG483 3.0 79.5 1.0 NH2 B:ARG483 3.3 75.5 1.0 O B:GLU472 3.3 87.2 1.0 C10 B:1UI901 3.6 83.4 1.0 C6 B:1UI901 3.6 79.5 1.0 C B:LYS474 3.8 75.3 1.0 CB B:PRO476 3.9 57.4 1.0 O B:GLN475 4.0 66.9 1.0 CA B:PRO476 4.1 60.6 1.0 C B:GLN475 4.1 63.1 1.0 C27 B:1UI901 4.1 75.8 1.0 NE B:ARG483 4.1 82.0 1.0 N B:PRO476 4.2 57.9 1.0 C B:GLU472 4.2 91.6 1.0 N B:LYS474 4.4 101.9 1.0 O B:ARG481 4.5 54.8 1.0 CB B:GLU472 4.5 84.7 1.0 CA B:LYS474 4.6 86.0 1.0 N B:GLN475 4.6 64.1 1.0 C B:PHE473 4.7 108.2 1.0 CD B:ARG483 4.7 83.4 1.0 CD B:PRO476 4.7 53.2 1.0 CA B:GLU472 4.8 81.5 1.0 CG B:PRO476 4.8 55.2 1.0 CA B:GLN475 4.8 56.6 1.0 C4 B:1UI901 4.8 82.9 1.0 C11 B:1UI901 4.9 83.2 1.0 N B:GLU472 4.9 72.9 1.0 O B:PHE473 4.9 115.0 1.0 CB B:LYS474 5.0 78.2 1.0

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