Chlorine in PDB 7vc1: Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L95 and L-Proline in Space Group P21

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L95 and L-Proline in Space Group P21, PDB code: 7vc1 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)	47.29 / 1.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.89, 81.8, 104.66, 90, 102.59, 90
R / Rfree (%)	17.4 / 21.1

The binding sites of Chlorine atom in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L95 and L-Proline in Space Group P21 (pdb code 7vc1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L95 and L-Proline in Space Group P21, PDB code: 7vc1:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L95 and L-Proline in Space Group P21


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 L95 and L-Proline in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl909 b:70.0 occ:1.00 O A:HOH1330 3.4 40.3 1.0 NZ A:LYS377 3.4 35.8 1.0 O A:GLU376 3.9 29.4 1.0 CB A:ARG380 4.0 25.8 1.0 CD A:LYS377 4.1 39.3 1.0 CA A:LYS377 4.2 19.8 1.0 C A:GLU376 4.3 29.2 1.0 CE A:LYS377 4.3 38.8 1.0 CG A:ARG380 4.4 25.8 1.0 N A:LYS377 4.4 25.7 1.0 O A:HOH1057 4.5 37.9 1.0 CG A:LYS377 4.5 33.6 1.0 CZ A:ARG380 4.6 38.4 1.0 O A:HOH1269 4.6 50.7 1.0 NE A:ARG380 4.7 33.1 1.0 NH2 A:ARG380 4.7 42.4 1.0 O A:HOH1265 4.7 61.6 1.0 O A:HOH1147 4.8 30.5 1.0 CB A:GLU376 4.8 28.0 1.0 O A:HOH1166 4.8 30.8 1.0 NH1 A:ARG380 5.0 39.6 1.0 CB A:LYS377 5.0 27.3 1.0

Chlorine binding site 2 out of 4 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L95 and L-Proline in Space Group P21


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 L95 and L-Proline in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl907 b:53.3 occ:0.72 N B:GLN555 3.2 34.9 1.0 O B:TYR830 3.3 57.4 1.0 NH1 B:ARG594 3.6 48.1 1.0 C B:TYR830 3.7 56.5 1.0 CA B:ILE554 3.8 33.6 1.0 CB B:GLN555 3.8 38.5 1.0 OG B:SER829 3.9 49.0 1.0 CB B:TYR830 3.9 42.3 1.0 C B:ILE554 4.0 32.7 1.0 CG1 B:ILE554 4.0 33.9 1.0 CA B:GLN555 4.1 36.0 1.0 CA B:TYR830 4.2 50.4 1.0 N B:TYR830 4.3 42.7 1.0 OXT B:TYR830 4.4 58.8 1.0 O B:GLY553 4.4 44.2 1.0 CZ B:ARG594 4.5 52.6 1.0 CB B:ILE554 4.5 32.7 1.0 NH2 B:ARG594 4.7 56.6 1.0 N B:ILE554 4.8 30.6 1.0 O B:GLN555 4.9 39.4 1.0

Chlorine binding site 3 out of 4 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L95 and L-Proline in Space Group P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L95 and L-Proline in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl908 b:74.8 occ:1.00 CD2 B:LEU561 3.7 33.0 1.0 OE2 B:GLU497 4.0 64.8 1.0 NZ B:LYS538 4.0 66.2 1.0 CD2 B:TRP501 4.1 37.7 1.0 CG B:TRP501 4.2 38.0 1.0 CE2 B:TRP501 4.3 39.4 1.0 CE3 B:TRP501 4.4 35.4 1.0 CE B:LYS539 4.4 61.7 1.0 CD1 B:TRP501 4.4 38.3 1.0 NE1 B:TRP501 4.5 36.5 1.0 CD B:GLU497 4.6 59.0 1.0 CB B:TRP501 4.7 35.3 1.0 CZ2 B:TRP501 4.8 40.8 1.0 CD B:LYS539 4.8 55.2 1.0 CZ3 B:TRP501 4.9 32.3 1.0 CG B:GLU497 4.9 41.8 1.0 NZ B:LYS539 4.9 64.6 1.0

Chlorine binding site 4 out of 4 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L95 and L-Proline in Space Group P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L95 and L-Proline in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl909 b:81.6 occ:1.00 CD B:LYS377 3.8 38.6 1.0 O B:HOH1262 3.9 62.6 1.0 O B:GLU376 4.0 28.4 1.0 CE B:LYS377 4.0 46.3 1.0 O B:HOH1253 4.1 54.2 1.0 NZ B:LYS377 4.2 46.9 1.0 CB B:ARG380 4.2 30.9 1.0 C B:GLU376 4.3 24.8 1.0 CA B:LYS377 4.4 22.4 1.0 N B:LYS377 4.5 24.8 1.0 NH2 B:ARG380 4.5 56.6 1.0 CB B:GLU376 4.5 28.4 1.0 O B:HOH1088 4.5 56.7 1.0 CZ B:ARG380 4.5 53.2 1.0 CG B:LYS377 4.5 32.0 1.0 CG B:ARG380 4.6 34.8 1.0 O B:HOH1093 4.6 52.8 1.0 NE B:ARG380 4.6 47.7 1.0 O B:HOH1150 4.7 53.6 1.0 O B:HOH1127 4.7 32.8 1.0

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