Chlorine in PDB 5tqu: Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor

All present enzymatic activity of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor:
6.1.1.10;

The structure of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor, PDB code: 5tqu was solved by X.Barros-Alvarez, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	103.79 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.960, 106.320, 207.590, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 24.1

The binding sites of Chlorine atom in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (pdb code 5tqu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor, PDB code: 5tqu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:54.5 occ:1.00 CL1 B:I53801 0.0 54.5 1.0 C18 B:I53801 1.7 54.4 1.0 C19 B:I53801 2.7 55.3 1.0 C17 B:I53801 2.7 57.2 1.0 OH B:TYR481 3.4 53.8 1.0 CG1 B:ILE248 3.6 50.9 1.0 N B:ILE248 3.8 54.1 1.0 NE2 B:HIS523 3.9 50.8 1.0 CZ B:TYR481 3.9 49.7 1.0 C16 B:I53801 4.0 63.6 1.0 ND2 B:ASN480 4.0 54.8 1.0 C20 B:I53801 4.0 57.9 1.0 CE1 B:HIS523 4.0 52.5 1.0 O B:ALA477 4.0 55.5 1.0 CA B:PRO247 4.3 53.6 1.0 CE2 B:TYR481 4.3 54.0 1.0 C B:ALA477 4.3 56.2 1.0 CD1 B:ILE248 4.5 51.5 1.0 O B:ILE248 4.5 60.8 1.0 CB B:PRO247 4.5 56.8 1.0 C15 B:I53801 4.5 60.2 1.0 CB B:ALA477 4.5 53.6 1.0 C B:PRO247 4.5 53.3 1.0 N B:LEU478 4.6 53.4 1.0 CB B:ILE248 4.6 50.9 1.0 CA B:ILE248 4.7 52.7 1.0 CA B:LEU478 4.7 51.5 1.0 CD2 B:LEU478 4.7 61.0 1.0 CE1 B:TYR481 4.7 49.1 1.0

Chlorine binding site 2 out of 2 in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:87.2 occ:1.00 CL B:I53801 0.0 87.2 1.0 C16 B:I53801 1.7 63.6 1.0 C17 B:I53801 2.7 57.2 1.0 C15 B:I53801 2.7 60.2 1.0 C14 B:I53801 3.3 60.0 1.0 CE3 B:TRP474 3.5 60.7 1.0 CD2 B:PHE522 3.6 52.2 1.0 CB B:PHE522 3.6 52.2 1.0 CZ3 B:TRP474 3.7 57.1 1.0 CG B:PHE522 3.8 51.2 1.0 C18 B:I53801 4.0 54.4 1.0 C20 B:I53801 4.0 57.9 1.0 CG B:LEU478 4.1 56.3 1.0 CD2 B:LEU478 4.4 61.0 1.0 CD1 B:LEU478 4.4 57.0 1.0 CE2 B:PHE522 4.5 52.6 1.0 C19 B:I53801 4.5 55.3 1.0 O B:VAL473 4.5 58.5 1.0 CA B:TRP474 4.6 55.1 1.0 C2 B:I53801 4.7 61.9 1.0 CG2 B:VAL473 4.7 69.1 1.0 CD2 B:TRP474 4.8 59.2 1.0 CD1 B:PHE522 4.8 51.5 1.0 CB B:ALA477 4.8 53.6 1.0 O B:TRP474 4.9 58.2 1.0 C B:VAL473 5.0 62.3 1.0 N B:I53801 5.0 59.9 1.0 CG1 B:VAL473 5.0 64.4 1.0

W.G.Devine, R.Diaz-Gonzalez, G.Ceballos-Perez, D.Rojas, T.Satoh, W.Tear, R.M.Ranade, X.Barros-Alvarez, W.G.Hol, F.S.Buckner, M.Navarro, M.P.Pollastri. From Cells to Mice to Target: Characterization of Neu-1053 (Sb-443342) and Its Analogues For Treatment of Human African Trypanosomiasis. Acs Infect Dis V. 3 225 2017.
ISSN: ESSN 2373-8227
PubMed: 28110521
DOI: 10.1021/ACSINFECDIS.6B00202