Bromine in PDB 7f9t: Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Halofuginone

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Halofuginone, PDB code: 7f9t was solved by N.Malhotra, Y.Manickam, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.07 / 1.49
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	70.587, 70.63, 76.485, 101.05, 92.19, 115.84
R / Rfree (%)	17.3 / 19.1

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

Chlorine	(Cl)	2 atoms
Fluorine	(F)	2 atoms

The binding sites of Bromine atom in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Halofuginone (pdb code 7f9t). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Halofuginone, PDB code: 7f9t:
Jump to Bromine binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Halofuginone within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1002 b:210.9 occ:0.93 BR1 A:HFG1002 0.0 210.9 0.9 C7 A:HFG1002 1.9 115.0 0.9 C8 A:HFG1002 2.8 58.5 0.9 C6 A:HFG1002 2.9 40.5 0.9 CL1 A:HFG1002 3.3 27.6 0.9 CG1 A:VAL419 3.4 30.9 1.0 C A:FMT1009 3.5 31.8 0.7 O A:GLU418 3.5 28.2 1.0 O1 A:FMT1009 3.7 31.9 0.7 C A:GLU418 3.7 24.2 1.0 CB A:PRO438 3.8 18.9 1.0 N A:GLU418 3.8 31.5 1.0 CB A:PRO417 4.1 35.7 1.0 C9 A:HFG1002 4.1 23.7 0.9 N A:VAL419 4.1 24.3 1.0 C5 A:HFG1002 4.2 23.7 0.9 CA A:GLU418 4.2 28.4 1.0 CG A:PRO438 4.2 19.1 1.0 O2 A:FMT1009 4.3 40.5 0.7 CA A:VAL419 4.5 25.7 1.0 CB A:GLU418 4.5 40.4 1.0 CB A:VAL419 4.5 29.1 1.0 C A:PRO417 4.6 33.0 1.0 O A:HOH1143 4.6 44.1 1.0 C10 A:HFG1002 4.7 19.5 0.9 CG A:ARG470 4.9 23.4 1.0 CA A:PRO417 4.9 32.9 1.0

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


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and Halofuginone within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1002 b:197.3 occ:1.00 BR1 B:HFG1002 0.0 197.3 1.0 C7 B:HFG1002 1.9 107.2 1.0 C8 B:HFG1002 2.8 48.5 1.0 C6 B:HFG1002 2.9 45.9 1.0 CL1 B:HFG1002 3.3 35.8 1.0 CG1 B:VAL419 3.4 27.4 1.0 O B:GLU418 3.7 29.8 1.0 O B:HOH1365 3.7 34.0 1.0 CB B:PRO438 3.7 18.6 1.0 C B:GLU418 3.8 24.9 1.0 N B:GLU418 3.9 30.9 1.0 CG B:PRO438 4.1 18.9 1.0 C9 B:HFG1002 4.1 22.4 1.0 N B:VAL419 4.2 24.6 1.0 C5 B:HFG1002 4.2 23.4 1.0 CA B:GLU418 4.2 30.1 1.0 O B:HOH1256 4.3 32.2 0.3 O B:HOH1461 4.3 45.6 1.0 CB B:PRO417 4.3 35.9 1.0 CB B:GLU418 4.3 43.4 1.0 CA B:VAL419 4.5 26.4 1.0 O B:HOH1256 4.5 33.4 0.7 CB B:VAL419 4.5 27.2 1.0 C10 B:HFG1002 4.7 19.2 1.0 CG B:ARG470 4.7 23.0 1.0 C B:PRO417 4.7 37.4 1.0 CA B:ARG470 4.9 18.8 1.0 CB B:ARG470 4.9 20.6 1.0

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