Strontium in PDB 7ot2: Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4J

All present enzymatic activity of Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4J:
6.1.1.15; 6.1.1.17;

The structure of Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4J, PDB code: 7ot2 was solved by L.Pang, J.Zitko, S.V.Strelkov, S.D.Weeks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.91 / 2.48
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.017, 92.839, 87.933, 90, 108.99, 90
R / Rfree (%)	19.4 / 25.3

The structure of Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4J also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Zinc	(Zn)	2 atoms

The binding sites of Strontium atom in the Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4J (pdb code 7ot2). This binding sites where shown within 5.0 Angstroms radius around Strontium atom.
In total 2 binding sites of Strontium where determined in the Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4J, PDB code: 7ot2:
Jump to Strontium binding site number: 1; 2;

Strontium binding site 1 out of 2 in the Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4J


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 1 of Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4J within 5.0Å range: probe atom residue distance (Å) B Occ A:Sr1604 b:147.3 occ:1.00 O A:GLY1263 2.5 109.7 1.0 C A:GLY1263 3.7 101.4 1.0 CA A:GLY1263 4.2 94.0 1.0 N A:GLU1264 4.7 91.2 1.0

Strontium binding site 2 out of 2 in the Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4J


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 2 of Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4J within 5.0Å range: probe atom residue distance (Å) B Occ A:Sr1605 b:183.0 occ:1.00 O A:HOH1704 2.5 124.2 1.0 OD2 A:ASP1096 2.7 102.2 1.0 O A:ASP1096 2.9 82.8 1.0 O A:HOH1717 3.5 83.8 1.0 CG A:ASP1096 3.9 88.8 1.0 C A:ASP1096 4.0 64.2 1.0 OE1 A:GLU1100 4.0 87.1 1.0 CA A:ASP1096 4.4 77.2 1.0 OD1 A:ASP1096 4.7 96.0 1.0 CB A:ASP1096 4.8 74.9 1.0 CG A:PRO1099 4.8 72.0 1.0

L.Pang, S.D.Weeks, S.V.Strelkov, J.Zitko, A.Van Aerschot. Towards Novel 3-Aminopyrazinamide-Based Prolyl-Trna Synthetase Inhibitors: in Silico Modelling, Thermal Shift Assay and Structural Studies Int J Mol Sci 2021.
ISSN: ESSN 1422-0067
DOI: 10.3390/IJMS22157793