Chlorine in PDB 7vc3: Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution, PDB code: 7vc3 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)	52.68 / 1.97
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.733, 73.644, 74.906, 90, 111.38, 90
R / Rfree (%)	17.5 / 21.7

The structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Sodium	(Na)	1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution (pdb code 7vc3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution, PDB code: 7vc3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 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 L97 and L-Proline at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1006 b:84.8 occ:1.00 OG A:SER343 3.8 75.3 1.0 OH A:TYR830 3.9 51.9 1.0 CE A:MET601 4.1 36.3 1.0 CA A:SER343 4.3 51.8 1.0 CD2 A:PHE342 4.4 44.5 1.0 CG2 A:THR477 4.5 44.5 1.0 CB A:SER343 4.5 57.9 1.0 CE2 A:PHE342 4.6 40.4 1.0 CD2 A:TYR346 4.7 43.0 1.0 N A:SER343 4.8 54.5 1.0 ND2 A:ASN550 4.8 45.3 1.0 OG1 A:THR477 5.0 52.4 1.0 CZ A:TYR830 5.0 44.8 1.0

Chlorine binding site 2 out of 11 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 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 L97 and L-Proline at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1007 b:85.1 occ:1.00 NE2 A:GLN555 3.3 54.5 1.0 CE A:LYS528 3.8 66.4 1.0 CE1 A:HIS560 4.0 51.1 1.0 NZ A:LYS528 4.1 60.8 1.0 O A:GLU532 4.1 58.2 1.0 OE1 A:GLN555 4.2 54.2 1.0 CD A:GLN555 4.2 47.2 1.0 O A:HOH1123 4.2 46.8 1.0 CG2 A:THR558 4.2 56.3 1.0 N A:PHE534 4.3 55.1 1.0 CG2 A:THR540 4.5 36.7 1.0 CA A:PHE534 4.5 54.7 1.0 CD1 A:PHE534 4.6 49.0 1.0 NE2 A:HIS560 4.7 46.8 1.0 OG1 A:THR558 4.8 72.0 1.0 C A:LYS533 4.8 52.8 1.0 CB A:PHE534 4.8 57.8 1.0 OXT A:PRO1002 4.8 47.9 1.0 ND1 A:HIS560 5.0 47.9 1.0 CB A:THR558 5.0 50.0 1.0

Chlorine binding site 3 out of 11 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution


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 L97 and L-Proline at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1008 b:91.9 occ:1.00 NZ A:LYS539 3.3 76.0 1.0 CE2 A:TRP501 3.8 57.3 1.0 CD2 A:TRP501 3.9 48.2 1.0 NE1 A:TRP501 4.1 59.0 1.0 CE A:LYS539 4.1 74.0 1.0 CZ2 A:TRP501 4.2 57.4 1.0 CG A:TRP501 4.2 53.0 1.0 CD1 A:TRP501 4.3 59.3 1.0 CE3 A:TRP501 4.4 47.8 1.0 CD A:LYS539 4.4 73.0 1.0 CD2 A:LEU561 4.5 37.2 1.0 CH2 A:TRP501 4.6 54.8 1.0 CZ3 A:TRP501 4.7 60.0 1.0 NZ A:LYS538 4.9 87.0 1.0

Chlorine binding site 4 out of 11 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution


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 L97 and L-Proline at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1009 b:100.4 occ:1.00 O A:HOH1216 2.6 68.3 1.0 NZ A:LYS607 2.9 84.3 1.0 CE A:LYS607 4.2 78.3 1.0 C A:THR698 4.3 54.6 1.0 N A:GLY699 4.3 51.5 1.0 CD A:LYS607 4.3 72.7 1.0 O A:THR698 4.3 51.4 1.0 O A:ARG696 4.3 47.1 1.0 CA A:GLY699 4.4 49.7 1.0 O A:ASP697 4.5 58.4 1.0 OD2 A:ASP605 4.7 49.0 1.0 NH1 A:ARG696 4.8 46.0 1.0 CA A:THR698 4.9 52.2 1.0 O A:HOH1173 5.0 61.9 1.0 C A:ASP697 5.0 50.9 1.0

Chlorine binding site 5 out of 11 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1010 b:99.2 occ:1.00 NH1 A:ARG512 4.1 38.5 1.0 OE1 A:GLU516 4.2 46.4 1.0 CB A:GLU516 4.3 39.7 1.0 CZ A:PHE725 4.3 50.9 1.0 O A:HOH1230 4.4 65.8 1.0 CE2 A:PHE725 4.4 46.9 1.0 O A:GLU516 4.6 55.1 1.0 C A:GLU516 4.6 51.4 1.0 CE1 A:PHE725 4.7 50.7 1.0 CD2 A:PHE725 4.8 47.7 1.0 N A:GLU517 4.9 40.1 1.0

Chlorine binding site 6 out of 11 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1011 b:92.4 occ:1.00 CD A:ARG654 3.6 65.4 1.0 NE A:ARG654 3.9 80.8 1.0 CZ2 A:TRP670 4.1 46.7 1.0 CG A:ARG654 4.3 51.2 1.0 O A:ILE655 4.4 50.0 1.0 OD1 A:ASP656 4.4 48.4 1.0 NE A:ARG658 4.4 50.8 1.0 CH2 A:TRP670 4.4 49.2 1.0 CZ A:ARG658 4.4 54.0 1.0 CG A:ASP656 4.5 49.4 1.0 NH2 A:ARG658 4.5 50.5 1.0 CA A:ASP656 4.6 45.3 1.0 CZ A:ARG654 4.6 88.3 1.0 CB A:ASP656 4.7 40.7 1.0 OD2 A:ASP656 4.9 45.9 1.0 CD A:ARG658 5.0 48.5 1.0 NH1 A:ARG658 5.0 59.8 1.0

Chlorine binding site 7 out of 11 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1012 b:91.4 occ:1.00 OD2 A:ASP685 3.4 80.2 1.0 OE2 A:GLU680 3.6 70.4 1.0 CB A:GLU680 4.1 54.9 1.0 CD A:ARG692 4.2 68.5 1.0 CG A:ASP685 4.3 80.6 1.0 OD1 A:ASP685 4.3 86.2 1.0 CB A:ARG692 4.4 52.5 1.0 CG1 A:ILE625 4.7 63.5 1.0 CD A:GLU680 4.7 68.0 1.0 O A:GLU680 4.8 59.5 1.0 C A:GLU680 4.8 56.7 1.0 CG A:ARG692 4.9 60.9 1.0 CG A:GLU680 5.0 61.6 1.0 NE A:ARG692 5.0 70.1 1.0

Chlorine binding site 8 out of 11 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1013 b:95.8 occ:1.00 ND2 A:ASN393 4.1 37.5 1.0 OD2 A:ASP383 4.2 45.8 1.0 CD1 A:TRP465 4.2 41.6 1.0 CG A:ASP383 4.4 50.9 1.0 OD1 A:ASP383 4.5 43.9 1.0 NE1 A:TRP465 4.5 33.3 1.0 CD A:GLN379 4.8 56.1 1.0 CG A:TRP465 4.9 38.0 1.0 NE2 A:GLN379 4.9 50.5 1.0 OE1 A:GLN379 5.0 60.2 1.0

Chlorine binding site 9 out of 11 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1014 b:102.6 occ:1.00 O A:ASP803 4.5 65.8 1.0 CB A:PRO801 4.5 46.5 1.0 CG2 A:ILE524 4.6 43.1 1.0 CG A:PRO801 4.6 48.8 1.0 CD1 A:ILE524 4.7 43.2 1.0 CD2 A:LEU756 4.9 54.4 1.0 CG1 A:ILE524 5.0 47.0 1.0

Chlorine binding site 10 out of 11 in the Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Inhibitor L97 and L-Proline at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1015 b:93.6 occ:1.00 CD1 A:PHE802 4.4 45.2 1.0 O A:HOH1208 4.4 79.9 1.0 CZ2 A:TRP501 4.4 57.4 1.0 CE1 A:PHE802 4.4 44.8 1.0 CG A:PHE802 4.4 47.6 1.0 CD2 A:PHE802 4.5 45.5 1.0 CZ A:PHE802 4.5 49.6 1.0 CE2 A:PHE802 4.5 44.5 1.0 CD2 A:LEU505 4.8 44.1 1.0 CD1 A:LEU505 4.8 48.2 1.0

N.Malhotra, Y.Manickam, A.Sharma. Tgprs with Inhibitor L97 To Be Published.