Chlorine in PDB 6r1o: Crystal Structure of E. Coli Seryl-Trna Synthetase Complexed to A Seryl Sulfamoyl Adenosine Derivative

All present enzymatic activity of Crystal Structure of E. Coli Seryl-Trna Synthetase Complexed to A Seryl Sulfamoyl Adenosine Derivative:
6.1.1.11;

The structure of Crystal Structure of E. Coli Seryl-Trna Synthetase Complexed to A Seryl Sulfamoyl Adenosine Derivative, PDB code: 6r1o was solved by R.Salimraj, R.Cain, D.I.Roper, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.96 / 2.60
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	85.410, 85.410, 317.716, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 21.5

The binding sites of Chlorine atom in the Crystal Structure of E. Coli Seryl-Trna Synthetase Complexed to A Seryl Sulfamoyl Adenosine Derivative (pdb code 6r1o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of E. Coli Seryl-Trna Synthetase Complexed to A Seryl Sulfamoyl Adenosine Derivative, PDB code: 6r1o:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of E. Coli Seryl-Trna Synthetase Complexed to A Seryl Sulfamoyl Adenosine Derivative


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 Seryl-Trna Synthetase Complexed to A Seryl Sulfamoyl Adenosine Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:93.1 occ:1.00 O A:HOH700 3.1 72.3 1.0 NH2 A:ARG373 3.1 67.3 1.0 O A:HOH717 3.3 78.4 1.0 O A:HOH699 3.7 69.0 1.0 NH1 A:ARG373 3.7 65.0 1.0 CZ A:ARG373 3.9 85.8 1.0 CG A:LEU384 4.6 52.4 1.0 CD1 A:LEU384 4.6 52.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of E. Coli Seryl-Trna Synthetase Complexed to A Seryl Sulfamoyl Adenosine Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of E. Coli Seryl-Trna Synthetase Complexed to A Seryl Sulfamoyl Adenosine Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:0.6 occ:1.00 NH1 A:ARG221 3.0 0.9 1.0 NH2 A:ARG221 3.8 0.6 1.0 CZ A:ARG221 3.8 0.6 1.0

R.Cain, R.Salimraj, A.S.Punekar, D.Bellini, C.W.G.Fishwick, L.Czaplewski, D.J.Scott, G.Harris, C.G.Dowson, A.J.Lloyd, D.I.Roper. Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-Trna Synthetase. J.Med.Chem. V. 62 9703 2019.
ISSN: ISSN 0022-2623
PubMed: 31626547
DOI: 10.1021/ACS.JMEDCHEM.9B01131