Zinc in PDB 8je7: Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Two Inhibitors (Halofuginone and L95)

The structure of Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Two Inhibitors (Halofuginone and L95), PDB code: 8je7 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)	83.81 / 2.14
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.675, 113.712, 123.999, 90, 90, 90
R / Rfree (%)	18 / 22.8

The structure of Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Two Inhibitors (Halofuginone and L95) also contains other interesting chemical elements:

Chlorine	(Cl)	6 atoms
Bromine	(Br)	6 atoms

The binding sites of Zinc atom in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Two Inhibitors (Halofuginone and L95) (pdb code 8je7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Two Inhibitors (Halofuginone and L95), PDB code: 8je7:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Two Inhibitors (Halofuginone and L95)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Two Inhibitors (Halofuginone and L95) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1800 b:80.0 occ:1.00 SG A:CYS1703 2.2 79.7 1.0 SG A:CYS1659 2.3 69.4 1.0 SG A:CYS1708 2.4 91.3 1.0 SG A:CYS1654 2.6 79.7 1.0 CB A:CYS1708 2.8 88.0 1.0 CB A:CYS1703 3.1 84.2 1.0 CB A:CYS1659 3.4 76.7 1.0 CB A:CYS1654 3.5 82.2 1.0 CE1 A:PHE1653 3.8 78.0 1.0 CD1 A:PHE1653 3.9 77.0 1.0 N A:CYS1654 4.0 82.6 1.0 NH1 A:ARG1710 4.3 98.2 1.0 CA A:CYS1708 4.4 93.1 1.0 CA A:CYS1654 4.4 88.7 1.0 CA A:CYS1703 4.5 85.2 1.0 CB A:HIS1705 4.8 100.2 1.0 CA A:CYS1659 4.8 81.4 1.0 CZ A:PHE1653 5.0 76.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Two Inhibitors (Halofuginone and L95)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Two Inhibitors (Halofuginone and L95) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1800 b:41.2 occ:0.80 SG B:CYS1659 2.2 49.6 1.0 SG B:CYS1703 2.2 44.0 1.0 SG B:CYS1708 2.3 50.5 1.0 SG B:CYS1654 2.4 49.9 1.0 CB B:CYS1703 3.1 44.9 1.0 CB B:CYS1708 3.1 53.5 1.0 CB B:CYS1654 3.2 50.7 1.0 CB B:CYS1659 3.2 55.7 1.0 N B:CYS1654 4.0 46.8 1.0 CE1 B:PHE1653 4.1 40.6 1.0 NH1 B:ARG1710 4.2 69.5 1.0 CA B:CYS1654 4.2 50.3 1.0 CD1 B:PHE1653 4.2 40.6 1.0 CA B:CYS1703 4.6 54.5 1.0 CA B:CYS1708 4.6 52.3 1.0 CA B:CYS1659 4.7 48.0 1.0 CB B:ARG1710 5.0 52.6 1.0 CB B:HIS1705 5.0 49.3 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.