Chlorine in PDB 8je6: Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue

The structure of Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue, PDB code: 8je6 was solved by R.Goswami, Y.Manickam, S.Gupta, J.Chhibber-Goel, K.Harlos, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.07 / 2.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.978, 69.798, 106.839, 90, 105.39, 90
R / Rfree (%)	19.8 / 27.9

The structure of Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Magnesium	(Mg)	2 atoms
Bromine	(Br)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue (pdb code 8je6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue, PDB code: 8je6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1802 b:47.1 occ:0.91 CL1 A:HFG1802 0.0 47.1 0.9 C6 A:HFG1802 1.7 53.0 0.9 C7 A:HFG1802 2.7 64.5 0.9 C5 A:HFG1802 2.7 41.2 0.9 BR1 A:HFG1802 3.1 72.9 0.9 CG A:PRO1327 3.8 30.2 1.0 CD1 A:LEU1294 3.9 39.2 1.0 C8 A:HFG1802 4.0 62.5 0.9 C10 A:HFG1802 4.0 40.4 0.9 CB A:PHE1304 4.2 83.2 1.0 CD1 A:PHE1304 4.3 85.6 1.0 CB A:PRO1327 4.4 50.3 1.0 C9 A:HFG1802 4.5 53.0 0.9 CG2 A:VAL1308 4.5 46.3 1.0 CG A:PHE1304 4.7 84.8 1.0 CG A:LEU1294 4.9 41.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1802 b:53.2 occ:0.85 CL1 B:HFG1802 0.0 53.2 0.8 C6 B:HFG1802 1.7 43.4 0.8 C5 B:HFG1802 2.7 40.8 0.8 C7 B:HFG1802 2.7 44.0 0.8 BR1 B:HFG1802 3.2 56.2 0.8 CG B:PRO1327 3.8 44.1 1.0 C10 B:HFG1802 4.0 32.7 0.8 C8 B:HFG1802 4.0 38.4 0.8 CG2 B:VAL1308 4.2 47.9 1.0 CD1 B:LEU1294 4.3 48.1 1.0 CB B:PRO1327 4.4 44.3 1.0 CD2 B:PHE1304 4.4 43.7 1.0 CB B:PHE1304 4.4 74.1 1.0 C9 B:HFG1802 4.5 32.7 0.8 CG B:PHE1304 4.8 63.2 1.0 CG B:LEU1294 4.8 53.1 1.0 CD2 B:LEU1294 5.0 52.7 1.0

R.Goswami, J.Chhibber-Goel, Y.Manickam, S.Gupta, K.Harlos, B.Laleu, A.Sharma. Targeting Prolyl-Trna Synthetase of Anopheles Culicifacies For the Development of New Larvicide To Be Published.