Chlorine in PDB 6gtq: Structure of the Atat Y144F Mutant Toxin Bound to the C-Terminus of the Antitoxin Atar

The structure of Structure of the Atat Y144F Mutant Toxin Bound to the C-Terminus of the Antitoxin Atar, PDB code: 6gtq was solved by A.Garcia-Pino, D.Jurenas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.24 / 2.49
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.580, 87.580, 125.480, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 23.6

The structure of Structure of the Atat Y144F Mutant Toxin Bound to the C-Terminus of the Antitoxin Atar also contains other interesting chemical elements:

Iodine

(I)

1 atom

The binding sites of Chlorine atom in the Structure of the Atat Y144F Mutant Toxin Bound to the C-Terminus of the Antitoxin Atar (pdb code 6gtq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Atat Y144F Mutant Toxin Bound to the C-Terminus of the Antitoxin Atar, PDB code: 6gtq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Atat Y144F Mutant Toxin Bound to the C-Terminus of the Antitoxin Atar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Atat Y144F Mutant Toxin Bound to the C-Terminus of the Antitoxin Atar within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:89.8 occ:1.00 O A:HOH353 3.2 60.7 1.0 CA A:GLY105 3.4 73.0 1.0 N A:GLY107 3.5 60.7 1.0 N A:ALA108 3.6 57.5 1.0 O2 A:GOL202 3.6 88.6 1.0 C A:GLY105 3.6 73.8 1.0 CE1 A:PHE142 3.6 66.4 1.0 C3 A:GOL202 3.7 90.1 1.0 CA A:GLY107 3.8 58.1 1.0 N A:TRP106 4.0 68.0 1.0 O A:GLY105 4.1 72.5 1.0 N A:GLY105 4.2 76.2 1.0 O C:HOH113 4.2 63.1 1.0 C A:GLY107 4.2 59.4 1.0 CB A:ALA108 4.3 59.3 1.0 C2 A:GOL202 4.3 90.4 1.0 O A:HOH322 4.3 67.8 1.0 CD1 A:PHE142 4.4 67.6 1.0 CZ A:PHE142 4.4 61.5 1.0 CA A:ALA108 4.5 56.4 1.0 C A:TRP106 4.6 65.0 1.0 CA A:TRP106 4.9 64.3 1.0 O3 A:GOL202 5.0 89.2 1.0

Chlorine binding site 2 out of 2 in the Structure of the Atat Y144F Mutant Toxin Bound to the C-Terminus of the Antitoxin Atar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Atat Y144F Mutant Toxin Bound to the C-Terminus of the Antitoxin Atar within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:0.2 occ:1.00 CD B:ARG99 3.3 92.5 1.0 NE2 B:GLN102 3.4 85.3 1.0 O B:HOH368 3.9 69.9 1.0 NE B:ARG99 3.9 0.3 1.0 OE1 B:GLN102 4.2 84.3 1.0 CD B:GLN102 4.2 90.4 1.0 NH1 B:ARG99 4.4 0.3 1.0 CZ B:ARG99 4.4 0.9 1.0 CG B:ARG99 4.4 80.7 1.0 O B:HOH345 4.6 82.3 1.0 CB B:ARG99 4.7 66.6 1.0

D.Jurenas, L.Van Melderen, A.Garcia-Pino. Mechanism of Regulation and Neutralization of the Atar-Atat Toxin-Antitoxin System. Nat. Chem. Biol. V. 15 285 2019.
ISSN: ESSN 1552-4469
PubMed: 30718814
DOI: 10.1038/S41589-018-0216-Z