Magnesium in PDB 5nrt: Cys-Gly Dipeptidase Glij in Complex with CA2+

All present enzymatic activity of Cys-Gly Dipeptidase Glij in Complex with CA2+:
3.4.13.19;

The structure of Cys-Gly Dipeptidase Glij in Complex with CA2+, PDB code: 5nrt 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)	15.00 / 2.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.650, 98.650, 106.450, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 19.7

The structure of Cys-Gly Dipeptidase Glij in Complex with CA2+ also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Cys-Gly Dipeptidase Glij in Complex with CA2+ (pdb code 5nrt). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Cys-Gly Dipeptidase Glij in Complex with CA2+, PDB code: 5nrt:

Magnesium binding site 1 out of 1 in the Cys-Gly Dipeptidase Glij in Complex with CA2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cys-Gly Dipeptidase Glij in Complex with CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:56.5 occ:1.00 O A:ASP239 3.1 46.0 1.0 C A:ASP239 3.9 46.2 1.0 CB A:ASP239 3.9 48.5 1.0 CA A:ASP239 4.2 47.0 1.0 CB A:HIS243 4.2 49.5 1.0 N A:HIS243 4.5 47.8 1.0 CG A:ASP239 4.6 50.4 1.0 CA A:HIS243 4.7 47.3 1.0 OD2 A:ASP239 4.8 50.5 1.0 CB A:LEU242 4.8 45.6 1.0 CG2 A:ILE284 4.9 45.8 1.0

A.Marion, M.Groll, D.H.Scharf, K.Scherlach, M.Glaser, H.Sievers, M.Schuster, C.Hertweck, A.A.Brakhage, I.Antes, E.M.Huber. Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase Glij. Acs Chem. Biol. V. 12 1874 2017.
ISSN: ESSN 1554-8937
PubMed: 28525266
DOI: 10.1021/ACSCHEMBIO.6B00847