Chlorine in PDB 6hb6: Crystal Structure of E. Coli Tyrrs in Complex with 5'-O-(N-L-Tyrosyl) Sulfamoyl-Uridine

All present enzymatic activity of Crystal Structure of E. Coli Tyrrs in Complex with 5'-O-(N-L-Tyrosyl) Sulfamoyl-Uridine:
6.1.1.1;

The structure of Crystal Structure of E. Coli Tyrrs in Complex with 5'-O-(N-L-Tyrosyl) Sulfamoyl-Uridine, PDB code: 6hb6 was solved by S.De Graef, L.Pang, 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)	28.11 / 1.92
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.705, 66.316, 91.246, 90.00, 101.44, 90.00
R / Rfree (%)	19.3 / 23.3

The binding sites of Chlorine atom in the Crystal Structure of E. Coli Tyrrs in Complex with 5'-O-(N-L-Tyrosyl) Sulfamoyl-Uridine (pdb code 6hb6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of E. Coli Tyrrs in Complex with 5'-O-(N-L-Tyrosyl) Sulfamoyl-Uridine, PDB code: 6hb6:

Chlorine binding site 1 out of 1 in the Crystal Structure of E. Coli Tyrrs in Complex with 5'-O-(N-L-Tyrosyl) Sulfamoyl-Uridine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of E. Coli Tyrrs in Complex with 5'-O-(N-L-Tyrosyl) Sulfamoyl-Uridine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:64.6 occ:1.00 O A:PHE398 2.7 43.8 1.0 O A:HOH624 2.8 41.9 1.0 NH2 A:ARG403 2.9 49.0 1.0 N A:PHE398 3.6 39.1 1.0 O A:HOH645 3.6 55.8 1.0 C A:PHE398 3.6 43.3 1.0 CZ A:ARG403 3.9 56.1 1.0 CA A:PHE398 4.0 38.0 1.0 NH1 A:ARG403 4.0 41.1 1.0 CB A:PHE397 4.0 37.9 1.0 CB A:PHE398 4.1 39.5 1.0 CA A:GLY356 4.1 43.5 1.0 C A:PHE397 4.1 41.2 1.0 N A:GLY356 4.2 43.0 1.0 O A:ALA357 4.4 39.3 1.0 CD1 A:PHE397 4.4 40.2 1.0 C A:GLY356 4.5 46.1 1.0 CA A:PHE397 4.5 35.7 1.0 CG A:PHE397 4.7 38.7 1.0 O A:GLY356 4.8 45.3 1.0 OE2 A:GLU400 4.8 65.9 1.0 O A:PHE397 4.8 40.4 1.0 N A:LYS399 4.8 41.0 1.0

M.Nautiyal, S.De Graef, L.Pang, B.Gadakh, S.V.Strelkov, S.D.Weeks, A.Van Aerschot. Comparative Analysis of Pyrimidine Substituted Aminoacyl-Sulfamoyl Nucleosides As Potential Inhibitors Targeting Class I Aminoacyl-Trna Synthetases. Eur.J.Med.Chem. V. 173 154 2019.
ISSN: ISSN 0223-5234
PubMed: 30995568
DOI: 10.1016/J.EJMECH.2019.04.003