Chlorine in PDB 6gtp: Structure of the Atat Y144F Mutant Toxin

The structure of Structure of the Atat Y144F Mutant Toxin, PDB code: 6gtp 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)	49.01 / 2.50
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.102, 58.102, 216.685, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 25.4

The structure of Structure of the Atat Y144F Mutant Toxin also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Structure of the Atat Y144F Mutant Toxin (pdb code 6gtp). 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, PDB code: 6gtp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Atat Y144F Mutant Toxin


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:94.7 occ:1.00 NE2 A:HIS140 3.0 55.3 1.0 O A:GLU156 3.0 68.6 1.0 O A:ALA158 3.1 51.1 1.0 C A:GLU156 3.5 68.9 1.0 N A:ALA158 3.6 50.9 1.0 C A:ASN157 3.6 56.3 1.0 CB A:PRO150 3.7 52.7 1.0 CA A:ASN157 3.7 58.1 1.0 O A:LEU151 3.7 55.1 1.0 O A:HOH303 3.7 55.0 1.0 N A:ASN157 3.8 61.3 1.0 O A:HOH338 3.9 53.6 1.0 CD2 A:HIS140 3.9 55.6 1.0 C A:ALA158 4.0 50.2 1.0 CE1 A:HIS140 4.0 55.7 1.0 CA A:PRO150 4.0 49.7 1.0 N A:LEU151 4.2 47.4 1.0 O A:ASN157 4.2 54.0 1.0 O A:HOH313 4.3 77.0 1.0 C A:PRO150 4.3 54.1 1.0 CA A:ALA158 4.4 48.6 1.0 CG A:LEU159 4.5 47.6 1.0 CA A:GLU156 4.5 69.3 1.0 C A:LEU151 4.7 54.7 1.0 CD1 A:LEU159 4.8 48.2 1.0 OE2 A:GLU156 4.9 0.2 1.0 CG A:PRO150 5.0 57.4 1.0

Chlorine binding site 2 out of 2 in the Structure of the Atat Y144F Mutant Toxin


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:99.0 occ:1.00 CE A:LYS85 3.2 77.0 1.0 O A:HOH315 3.4 70.4 1.0 CG A:LYS85 3.8 58.5 1.0 CD A:LYS85 4.0 57.3 1.0 NZ A:LYS85 4.0 78.0 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