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

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

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg1803 b:62.9 occ:1.00 O2G A:ANP1801 2.2 84.2 1.0 O2B A:ANP1801 2.6 81.0 1.0 OE2 A:GLU1361 3.3 84.3 1.0 NH1 A:ARG1359 3.4 59.6 1.0 OE1 A:GLU1361 3.6 85.1 1.0 PG A:ANP1801 3.6 91.9 1.0 OE1 A:GLU1307 3.7 69.4 1.0 CD A:GLU1361 3.7 83.3 1.0 OE2 A:GLU1307 3.9 64.0 1.0 PB A:ANP1801 4.0 72.1 1.0 N1 A:HFG1802 4.1 55.9 0.9 O3G A:ANP1801 4.1 84.5 1.0 CD A:GLU1307 4.2 70.7 1.0 N3B A:ANP1801 4.4 85.2 1.0 CD A:ARG1359 4.5 46.0 1.0 N7 A:ANP1801 4.6 62.1 1.0 C2 A:HFG1802 4.6 50.7 0.9 CZ A:ARG1359 4.6 55.0 1.0 O1B A:ANP1801 4.6 66.3 1.0 O2A A:ANP1801 4.6 61.9 1.0 O1G A:ANP1801 4.7 86.9 1.0 NH2 A:ARG1370 4.8 81.2 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg1803 b:39.9 occ:1.00 O2B B:ANP1801 2.1 60.5 1.0 O2G B:ANP1801 2.6 54.2 1.0 OE1 B:GLU1361 3.2 81.8 1.0 O3G B:ANP1801 3.4 68.5 1.0 PG B:ANP1801 3.6 60.0 1.0 PB B:ANP1801 3.6 56.3 1.0 NH1 B:ARG1359 3.8 59.6 1.0 OE1 B:GLU1307 3.9 74.9 1.0 CD B:GLU1361 3.9 73.5 1.0 OE2 B:GLU1361 3.9 80.4 1.0 N3B B:ANP1801 4.1 46.6 1.0 NH2 B:ARG1370 4.1 37.4 1.0 OE2 B:GLU1307 4.1 72.1 1.0 CD B:ARG1359 4.3 31.8 1.0 N7 B:ANP1801 4.3 66.7 1.0 N1 B:HFG1802 4.4 36.1 0.8 O1B B:ANP1801 4.4 47.7 1.0 CD B:GLU1307 4.5 74.0 1.0 O3A B:ANP1801 4.6 56.1 1.0 CZ B:ARG1359 4.7 42.2 1.0 NZ B:LYS1363 4.7 57.3 1.0 CE B:LYS1363 4.7 53.0 1.0 C2 B:HFG1802 4.8 35.3 0.8 O1G B:ANP1801 4.9 62.1 1.0 C8 B:ANP1801 4.9 58.3 1.0 NE B:ARG1359 4.9 31.7 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.