Bromine in PDB 8je5: Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone

The structure of Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone, PDB code: 8je5 was solved by R.Goswami, Y.Manickam, 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)	57.24 / 2.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.129, 114.473, 120.463, 90, 90, 90
R / Rfree (%)	20.6 / 28

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

Chlorine	(Cl)	5 atoms
Zinc	(Zn)	2 atoms

The binding sites of Bromine atom in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone (pdb code 8je5). 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, PDB code: 8je5:
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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1801 b:132.8 occ:1.00 BR1 A:HFG1801 0.0 132.8 1.0 C7 A:HFG1801 1.9 116.7 1.0 C8 A:HFG1801 2.8 100.6 1.0 C6 A:HFG1801 2.9 109.0 1.0 CL1 A:HFG1801 3.3 114.3 1.0 O A:GLU1307 3.4 102.4 1.0 CG2 A:VAL1308 3.5 85.6 1.0 CB A:PRO1327 3.7 69.5 1.0 O A:PHE1304 3.7 100.0 1.0 C A:GLU1307 3.8 95.3 1.0 CB A:GLU1307 3.8 101.0 1.0 CG A:PRO1327 3.9 74.5 1.0 C9 A:HFG1801 4.1 90.9 1.0 C5 A:HFG1801 4.2 94.5 1.0 CB A:PHE1304 4.3 102.0 1.0 CA A:GLU1307 4.3 98.8 1.0 C A:PHE1304 4.4 103.7 1.0 N A:VAL1308 4.4 92.2 1.0 CD1 A:PHE1304 4.5 101.2 1.0 CA A:VAL1308 4.5 90.8 1.0 CG A:ARG1359 4.6 88.2 1.0 CB A:VAL1308 4.6 88.0 1.0 CG A:PHE1304 4.6 103.5 1.0 C10 A:HFG1801 4.7 93.5 1.0 CA A:PHE1304 4.7 106.4 1.0 N A:GLU1307 4.8 100.5 1.0 CG A:GLU1307 4.8 109.1 1.0 OE2 A:GLU1307 4.9 116.1 1.0 CB A:ARG1359 5.0 82.0 1.0

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1801 b:210.8 occ:0.94 BR1 B:HFG1801 0.0 210.8 0.9 C7 B:HFG1801 1.9 123.1 0.9 C8 B:HFG1801 2.8 106.4 0.9 C6 B:HFG1801 2.9 85.4 0.9 O B:GLU1307 3.0 102.6 1.0 CL1 B:HFG1801 3.2 94.0 0.9 CG2 B:VAL1308 3.6 73.7 1.0 C B:GLU1307 3.7 95.7 1.0 O B:PHE1304 3.8 97.8 1.0 CB B:GLU1307 3.8 97.7 1.0 CB B:PRO1327 3.9 62.9 1.0 C9 B:HFG1801 4.1 84.3 0.9 C5 B:HFG1801 4.2 68.5 0.9 CG B:PRO1327 4.2 61.5 1.0 CB B:ARG1359 4.3 68.1 1.0 CA B:GLU1307 4.3 102.2 1.0 CB B:PHE1304 4.3 86.3 1.0 CG B:ARG1359 4.4 71.7 1.0 N B:VAL1308 4.5 87.2 1.0 C B:PHE1304 4.5 112.8 1.0 CA B:ARG1359 4.6 71.0 1.0 CD2 B:PHE1304 4.6 94.0 1.0 CG B:PHE1304 4.6 86.6 1.0 C10 B:HFG1801 4.7 74.8 0.9 CA B:VAL1308 4.7 81.2 1.0 CB B:VAL1308 4.8 88.1 1.0 N B:GLU1307 4.8 112.0 1.0 OE2 B:GLU1361 4.8 122.1 1.0 CA B:PHE1304 4.9 107.9 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.