Chlorine in PDB 7ncd: Glutathione-S-Transferase Glig Mutant N27D

The structure of Glutathione-S-Transferase Glig Mutant N27D, PDB code: 7ncd was solved by M.Groll, E.M.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.03, 85.03, 345.01, 90, 90, 90
R / Rfree (%)	21 / 23.9

The structure of Glutathione-S-Transferase Glig Mutant N27D also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Glutathione-S-Transferase Glig Mutant N27D (pdb code 7ncd). 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 Glutathione-S-Transferase Glig Mutant N27D, PDB code: 7ncd:

Chlorine binding site 1 out of 1 in the Glutathione-S-Transferase Glig Mutant N27D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glutathione-S-Transferase Glig Mutant N27D within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:68.7 occ:1.00 CB B:LEU140 3.4 60.0 1.0 CB B:LYS142 3.4 56.9 1.0 N B:THR143 3.4 49.5 1.0 N B:LYS142 3.4 56.4 1.0 O A:HOH443 3.5 48.1 1.0 C B:LEU140 3.5 59.9 1.0 OG1 B:THR143 3.5 47.2 1.0 CA B:LEU140 3.6 60.8 1.0 O B:LEU140 3.7 57.6 1.0 CA B:LYS142 3.8 55.4 1.0 N B:PRO141 3.9 60.6 1.0 CG B:LYS142 4.1 59.2 1.0 C B:LYS142 4.1 51.6 1.0 CD2 A:LEU140 4.1 57.6 1.0 CB B:THR143 4.2 47.1 1.0 CD2 B:LEU140 4.3 61.8 1.0 CD B:PRO141 4.3 62.3 1.0 CG B:LEU140 4.4 60.9 1.0 CA B:THR143 4.4 47.5 1.0 CD1 A:LEU140 4.4 56.3 1.0 C B:PRO141 4.5 57.3 1.0 CD B:LYS142 4.6 60.5 1.0 OG1 A:THR143 4.6 45.6 1.0 CG A:LEU140 4.7 56.8 1.0 CA B:PRO141 4.8 59.4 1.0 CB A:LEU140 4.9 56.3 1.0

K.Scherlach, W.Kuttenlochner, D.H.Scharf, A.A.Brakhage, C.Hertweck, M.Groll, E.Huber. Structural and Mechanistic Insights Into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl. 2021.
ISSN: ESSN 1521-3773
PubMed: 33909314
DOI: 10.1002/ANIE.202104372