Magnesium in PDB 4x8b: Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb, Apo Form

The structure of Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb, Apo Form, PDB code: 4x8b was solved by A.Vit, K.V.Goncharenko, W.Blankenfeldt, F.P.Seebeck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.75 / 1.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	134.780, 134.780, 141.204, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 15.7

The structure of Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb, Apo Form also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Calcium	(Ca)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb, Apo Form (pdb code 4x8b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb, Apo Form, PDB code: 4x8b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb, Apo Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg507 b:58.0 occ:1.00 O A:HOH1093 2.2 42.3 1.0 O A:HOH672 2.2 33.9 1.0 O A:HOH704 2.2 45.3 1.0 O A:HOH611 4.1 24.5 1.0 O A:HOH1177 4.1 48.2 1.0

Magnesium binding site 2 out of 2 in the Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb, Apo Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg507 b:36.2 occ:1.00 OD1 B:ASP267 2.0 29.6 1.0 O B:HOH1072 2.0 47.3 1.0 O B:HOH1073 2.0 35.6 1.0 O B:HOH909 2.1 38.8 1.0 O A:HOH1085 2.2 41.6 1.0 O A:HOH1098 2.3 46.8 1.0 CG B:ASP267 3.0 34.4 1.0 OD2 B:ASP267 3.3 37.2 1.0 HB3 A:LEU113 3.6 26.5 1.0 OD2 A:ASP117 3.7 60.5 1.0 H B:ILE268 3.7 29.0 1.0 O B:ILE268 4.1 24.9 1.0 O A:HOH835 4.2 27.9 1.0 O B:HOH905 4.2 48.4 1.0 O B:GLY257 4.2 33.4 1.0 N B:ILE268 4.3 24.2 1.0 O2 B:GOL504 4.3 59.4 1.0 CB B:ASP267 4.3 29.3 1.0 HA B:ASP267 4.4 31.0 1.0 HD13 A:LEU113 4.4 31.0 1.0 HB2 A:LEU113 4.5 26.5 1.0 CB A:LEU113 4.5 22.1 1.0 OD1 A:ASP114 4.5 32.1 0.5 CG A:ASP117 4.5 54.4 1.0 HB B:ILE268 4.5 31.7 1.0 O B:HOH950 4.6 51.2 1.0 H2 B:GOL504 4.6 67.8 1.0 O B:HOH996 4.7 44.3 1.0 CA B:ASP267 4.7 25.8 1.0 OD1 A:ASP117 4.7 57.5 1.0 HB3 B:ASP267 4.7 35.2 1.0 O A:LEU113 4.8 26.7 1.0 C B:ASP267 4.8 26.7 1.0 HO2 B:GOL504 4.9 71.2 1.0 HB2 B:ASP267 5.0 35.2 1.0 HA A:ASP114 5.0 28.9 0.6 C A:LEU113 5.0 25.4 1.0

K.V.Goncharenko, A.Vit, W.Blankenfeldt, F.P.Seebeck. Structure of the Sulfoxide Synthase Egtb From the Ergothioneine Biosynthetic Pathway. Angew.Chem.Int.Ed.Engl. 2015.
ISSN: ESSN 1521-3773
PubMed: 25597398
DOI: 10.1002/ANIE.201410045