Strontium in PDB 7ot0: Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4H

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

The structure of Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4H, PDB code: 7ot0 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)	67.44 / 2.32
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.163, 93.458, 87.484, 90, 108.61, 90
R / Rfree (%)	19.7 / 25

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

Chlorine	(Cl)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Strontium atom in the Human Prolyl-Trna Synthetase in Complex with L-Proline and Compound 4H (pdb code 7ot0). 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 4H, PDB code: 7ot0:
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 4H


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 4H within 5.0Å range: probe atom residue distance (Å) B Occ A:Sr1604 b:143.3 occ:1.00 O A:GLY1263 2.7 82.8 1.0 C A:GLY1263 3.9 90.6 1.0 CA A:GLY1263 4.6 101.8 1.0 N A:GLU1264 4.8 73.8 1.0 CA A:GLU1264 4.9 75.4 1.0

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


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 4H within 5.0Å range: probe atom residue distance (Å) B Occ A:Sr1605 b:118.0 occ:1.00 OD1 A:ASP1096 2.6 88.4 1.0 O A:ASP1096 2.7 82.5 1.0 O A:HOH1748 3.2 71.0 1.0 OE2 A:GLU1100 3.7 82.0 1.0 C A:ASP1096 3.7 66.2 1.0 CG A:ASP1096 3.7 76.4 1.0 CA A:ASP1096 4.0 60.5 1.0 CB A:ASP1096 4.5 62.5 1.0 OD2 A:ASP1096 4.6 79.3 1.0 CG A:PRO1099 4.7 76.5 1.0 CD A:GLU1100 4.8 78.8 1.0 N A:PHE1097 4.9 69.6 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