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

Protein crystallography data

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

Other elements in 7f9t:

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

Bromine (Br) 2 atoms
Fluorine (F) 2 atoms

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 2 in 7f9t

Go back to Chlorine Binding Sites List in 7f9t
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1002

b:27.6
occ:0.93
CL1 A:HFG1002 0.0 27.6 0.9
C6 A:HFG1002 1.7 40.5 0.9
C5 A:HFG1002 2.7 23.7 0.9
C7 A:HFG1002 2.7 115.0 0.9
BR1 A:HFG1002 3.3 210.9 0.9
CG A:PRO438 3.6 19.1 1.0
CB A:PRO417 3.7 35.7 1.0
CG1 A:VAL419 4.0 30.9 1.0
C10 A:HFG1002 4.0 19.5 0.9
CG A:PRO417 4.0 36.6 1.0
C8 A:HFG1002 4.0 58.5 0.9
O A:HOH1423 4.1 42.6 1.0
C A:FMT1009 4.1 31.8 0.7
CD1 A:LEU405 4.2 30.4 1.0
O A:HOH1482 4.3 32.5 1.0
O2 A:FMT1009 4.3 40.5 0.7
CB A:PRO438 4.3 18.9 1.0
C9 A:HFG1002 4.5 23.7 0.9
CD A:PRO438 4.8 18.9 1.0
CG A:LEU405 4.8 29.2 1.0
CD2 A:LEU405 4.9 28.7 1.0

Chlorine binding site 2 out of 2 in 7f9t

Go back to Chlorine Binding Sites List in 7f9t
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1002

b:35.8
occ:1.00
CL1 B:HFG1002 0.0 35.8 1.0
C6 B:HFG1002 1.7 45.9 1.0
C5 B:HFG1002 2.7 23.4 1.0
C7 B:HFG1002 2.7 107.2 1.0
BR1 B:HFG1002 3.3 197.3 1.0
CG B:PRO438 3.6 18.9 1.0
CB B:PRO417 3.8 35.9 1.0
CG1 B:VAL419 3.9 27.4 1.0
C10 B:HFG1002 4.0 19.2 1.0
C8 B:HFG1002 4.0 48.5 1.0
CG B:PRO417 4.1 37.9 1.0
O B:HOH1461 4.1 45.6 1.0
O B:HOH1428 4.2 32.3 1.0
O B:HOH1404 4.3 49.3 1.0
CB B:PRO438 4.3 18.6 1.0
CD1 B:LEU405 4.4 30.6 1.0
C9 B:HFG1002 4.5 22.4 1.0
CD B:PRO438 4.8 18.8 1.0
CD2 B:LEU405 4.9 29.0 1.0
CG B:LEU405 5.0 30.4 1.0
O B:HOH1365 5.0 34.0 1.0

Reference:

N.Malhotra, Y.Manickam, A.Sharma. Tgprs with Double Inhibitors To Be Published.
Page generated: Sun Jul 13 00:34:46 2025

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