Zinc 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:

Magnesium	(Mg)	2 atoms
Bromine	(Br)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Zinc 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 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 Halofuginone and Atp Analogue, PDB code: 8je6:
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 Halofuginone and Atp Analogue


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 Halofuginone and Atp Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1804 b:56.5 occ:0.53 SG A:CYS1708 2.1 79.1 1.0 SG A:CYS1659 2.3 65.2 1.0 SG A:CYS1654 2.4 78.0 1.0 SG A:CYS1703 2.4 69.9 1.0 CB A:CYS1708 2.7 80.7 1.0 CB A:CYS1654 3.2 75.3 1.0 CB A:CYS1659 3.4 68.4 1.0 CB A:CYS1703 3.4 77.5 1.0 CE1 A:PHE1653 3.6 62.6 1.0 CD1 A:PHE1653 3.9 54.4 1.0 N A:CYS1654 3.9 81.8 1.0 CA A:CYS1708 4.1 96.0 1.0 CA A:CYS1654 4.2 80.4 1.0 CZ A:PHE1653 4.6 65.4 1.0 N A:GLY1709 4.7 129.0 1.0 CA A:CYS1659 4.8 72.8 1.0 C A:CYS1708 4.8 111.3 1.0 CA A:CYS1703 4.9 76.3 1.0 O A:GLY1709 4.9 105.0 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn1804 b:64.5 occ:0.84 CB B:CYS1708 2.2 88.3 1.0 SG B:CYS1659 2.3 69.5 1.0 SG B:CYS1654 2.4 48.8 1.0 SG B:CYS1708 2.7 103.0 1.0 SG B:CYS1703 2.7 55.6 1.0 CB B:CYS1659 3.0 57.5 1.0 CA B:CYS1708 3.1 90.0 1.0 CB B:CYS1703 3.5 51.3 1.0 CB B:CYS1654 3.6 47.4 1.0 N B:GLY1709 3.7 91.3 1.0 C B:CYS1708 4.0 90.5 1.0 CE1 B:PHE1653 4.0 45.2 1.0 N B:CYS1708 4.2 97.5 1.0 CD1 B:PHE1653 4.2 46.3 1.0 N B:CYS1654 4.3 47.4 1.0 CA B:CYS1659 4.5 60.0 1.0 CA B:CYS1654 4.6 45.1 1.0 CB B:HIS1705 4.8 80.4 1.0 CA B:GLY1709 5.0 94.1 1.0 CA B:CYS1703 5.0 54.5 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.