Bromine 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
Chlorine	(Cl)	2 atoms

The binding sites of Bromine 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 Bromine atom.
In total 2 binding sites of Bromine 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 Bromine binding site number: 1; 2;

Bromine 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 Bromine with other atoms in the Br 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:Br1802 b:72.9 occ:0.91 BR1 A:HFG1802 0.0 72.9 0.9 C7 A:HFG1802 1.9 64.5 0.9 C6 A:HFG1802 2.8 53.0 0.9 C8 A:HFG1802 2.8 62.5 0.9 CL1 A:HFG1802 3.1 47.1 0.9 CG2 A:VAL1308 3.4 46.3 1.0 O A:PHE1304 3.5 75.9 1.0 CB A:PRO1327 3.6 50.3 1.0 CB A:PHE1304 3.7 83.2 1.0 CB A:GLU1307 3.9 65.4 1.0 CG A:PRO1327 3.9 30.2 1.0 C A:GLU1307 4.1 54.0 1.0 C5 A:HFG1802 4.1 41.2 0.9 C9 A:HFG1802 4.1 53.0 0.9 O A:GLU1307 4.2 61.3 1.0 N A:VAL1308 4.3 50.4 1.0 C A:PHE1304 4.4 76.5 1.0 OE1 A:GLU1307 4.4 69.4 1.0 CA A:GLU1307 4.5 58.6 1.0 CA A:VAL1308 4.5 43.0 1.0 CB A:VAL1308 4.6 44.3 1.0 C10 A:HFG1802 4.6 40.4 0.9 CG A:PHE1304 4.7 84.8 1.0 CA A:PHE1304 4.7 80.4 1.0 N A:GLU1307 4.9 65.2 1.0

Bromine 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 Bromine with other atoms in the Br 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:Br1802 b:56.2 occ:0.85 BR1 B:HFG1802 0.0 56.2 0.8 C7 B:HFG1802 1.9 44.0 0.8 C8 B:HFG1802 2.8 38.4 0.8 C6 B:HFG1802 2.8 43.4 0.8 CL1 B:HFG1802 3.2 53.2 0.8 CG2 B:VAL1308 3.4 47.9 1.0 CB B:PRO1327 3.5 44.3 1.0 CB B:GLU1307 3.6 33.8 1.0 C B:GLU1307 3.7 30.6 1.0 O B:GLU1307 3.7 38.1 1.0 CG B:PRO1327 3.8 44.1 1.0 N B:VAL1308 3.9 33.4 1.0 O B:PHE1304 3.9 68.6 1.0 CB B:PHE1304 4.1 74.1 1.0 CA B:VAL1308 4.1 40.4 1.0 C5 B:HFG1802 4.1 40.8 0.8 C9 B:HFG1802 4.1 32.7 0.8 CA B:GLU1307 4.2 32.8 1.0 CB B:VAL1308 4.4 42.8 1.0 OE1 B:GLU1307 4.5 74.9 1.0 C10 B:HFG1802 4.7 32.7 0.8 C B:PHE1304 4.7 71.3 1.0 N B:GLU1307 4.8 53.2 1.0 CG B:ARG1359 4.9 32.0 1.0 CA B:PRO1327 4.9 44.8 1.0 CG B:GLU1307 4.9 58.8 1.0 CG B:PHE1304 4.9 63.2 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.