Magnesium in PDB 7by6: Plasmodium Vivax Cytoplasmic Phenylalanyl-Trna Synthetase in Complex with BRD1389

All present enzymatic activity of Plasmodium Vivax Cytoplasmic Phenylalanyl-Trna Synthetase in Complex with BRD1389:
6.1.1.20;

The structure of Plasmodium Vivax Cytoplasmic Phenylalanyl-Trna Synthetase in Complex with BRD1389, PDB code: 7by6 was solved by N.Malhotra, S.Manmohan, K.Harlos, B.Melillo, S.L.Schreiber, Y.Manickam, S.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	121.78 / 3.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	136.523, 74.071, 121.682, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 28.8

The binding sites of Magnesium atom in the Plasmodium Vivax Cytoplasmic Phenylalanyl-Trna Synthetase in Complex with BRD1389 (pdb code 7by6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Plasmodium Vivax Cytoplasmic Phenylalanyl-Trna Synthetase in Complex with BRD1389, PDB code: 7by6:

Magnesium binding site 1 out of 1 in the Plasmodium Vivax Cytoplasmic Phenylalanyl-Trna Synthetase in Complex with BRD1389


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Plasmodium Vivax Cytoplasmic Phenylalanyl-Trna Synthetase in Complex with BRD1389 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg701 b:83.1 occ:1.00 OE1 B:GLU361 2.2 95.2 1.0 OE2 A:GLU499 2.5 98.4 1.0 OE2 B:GLU361 2.6 98.0 1.0 CD B:GLU361 2.7 0.3 1.0 CD A:GLU499 3.4 98.7 1.0 OD2 B:ASP352 3.4 0.6 1.0 OE1 A:GLU499 3.6 0.2 1.0 ND2 B:ASN54 3.7 81.0 1.0 OD1 B:ASP358 4.0 93.1 1.0 CG B:GLU361 4.2 85.0 1.0 CG B:ASP352 4.5 0.7 1.0 CG A:GLU499 4.7 88.8 1.0 OD1 B:ASP362 4.7 0.1 1.0 CG B:ASN54 4.8 84.8 1.0 CB B:GLU361 4.8 75.1 1.0 OD1 B:ASN54 4.9 93.1 1.0

N.Malhotra, S.Manmohan, K.Harlos, Y.Manickam, S.Sharma. Structural Basis of Malaria Parasite Phenylalanine Trna-Synthetase Inhibition By Bicyclic Azetidines Nat Commun 2020.
ISSN: ESSN 2041-1723