Sodium in PDB 7ncp: Glutathione-S-Transferase Glig Mutant K127A

The structure of Glutathione-S-Transferase Glig Mutant K127A, PDB code: 7ncp 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 (°)	52.94, 85.14, 343.22, 90, 90, 90
R / Rfree (%)	21.3 / 24.5

The binding sites of Sodium atom in the Glutathione-S-Transferase Glig Mutant K127A (pdb code 7ncp). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Glutathione-S-Transferase Glig Mutant K127A, PDB code: 7ncp:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Glutathione-S-Transferase Glig Mutant K127A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Glutathione-S-Transferase Glig Mutant K127A within 5.0Å range: probe atom residue distance (Å) B Occ A:Na303 b:40.4 occ:1.00 O A:LEU162 2.5 37.1 1.0 O A:HOH436 2.8 31.1 1.0 O A:GLN167 2.9 34.6 1.0 O A:HOH467 3.0 52.0 1.0 C A:LEU162 3.5 36.2 1.0 CB A:LEU162 3.8 33.7 1.0 CA A:LEU162 3.8 34.8 1.0 C A:GLN167 3.8 36.0 1.0 NH2 A:ARG211 4.1 38.9 1.0 CA A:GLN168 4.1 36.8 1.0 CD2 A:LEU162 4.1 32.5 1.0 N A:GLN168 4.3 36.7 1.0 CD A:LYS204 4.4 40.3 1.0 CB A:LYS204 4.5 37.5 1.0 O A:GLN168 4.5 34.1 1.0 CG A:LEU162 4.6 33.0 1.0 C A:GLN168 4.6 34.7 1.0 OE1 A:GLN168 4.7 46.3 1.0 N A:ASN163 4.7 37.0 1.0 CG A:LYS204 4.8 39.1 1.0 CD A:GLN168 4.8 43.9 1.0 O A:LYS204 4.8 34.5 1.0 NE2 A:GLN168 4.8 46.5 1.0 CA A:GLN167 5.0 36.3 1.0

Sodium binding site 2 out of 3 in the Glutathione-S-Transferase Glig Mutant K127A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Glutathione-S-Transferase Glig Mutant K127A within 5.0Å range: probe atom residue distance (Å) B Occ C:Na301 b:46.5 occ:1.00 OE2 C:GLU3 2.3 47.9 1.0 CD C:GLU3 3.6 46.6 1.0 OE1 C:GLU3 4.4 47.7 1.0 CG C:GLU3 4.5 46.1 1.0

Sodium binding site 3 out of 3 in the Glutathione-S-Transferase Glig Mutant K127A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Glutathione-S-Transferase Glig Mutant K127A within 5.0Å range: probe atom residue distance (Å) B Occ E:Na302 b:52.0 occ:1.00 OE2 E:GLU3 2.3 58.5 1.0 CD E:GLU3 3.5 58.1 1.0 OE1 E:GLU3 4.2 57.7 1.0 CG E:GLU3 4.4 58.2 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