Magnesium in PDB 6ll4: Oxygen-Exposed Carbazole-Soaked Reduced Terminal Oxygenase of Carbazole 1,9A-Dioxygenase

The structure of Oxygen-Exposed Carbazole-Soaked Reduced Terminal Oxygenase of Carbazole 1,9A-Dioxygenase, PDB code: 6ll4 was solved by Y.X.Wang, C.Suzuki-Minakuchi, H.Nojiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.23 / 2.20
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	91.887, 91.887, 242.157, 90, 90, 120
R / Rfree (%)	16.9 / 24

The structure of Oxygen-Exposed Carbazole-Soaked Reduced Terminal Oxygenase of Carbazole 1,9A-Dioxygenase also contains other interesting chemical elements:

Iron

(Fe)

9 atoms

The binding sites of Magnesium atom in the Oxygen-Exposed Carbazole-Soaked Reduced Terminal Oxygenase of Carbazole 1,9A-Dioxygenase (pdb code 6ll4). 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 Oxygen-Exposed Carbazole-Soaked Reduced Terminal Oxygenase of Carbazole 1,9A-Dioxygenase, PDB code: 6ll4:

Magnesium binding site 1 out of 1 in the Oxygen-Exposed Carbazole-Soaked Reduced Terminal Oxygenase of Carbazole 1,9A-Dioxygenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Oxygen-Exposed Carbazole-Soaked Reduced Terminal Oxygenase of Carbazole 1,9A-Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg404 b:28.3 occ:1.00 O B:HOH585 2.0 38.3 1.0 OD1 B:ASP197 2.0 25.4 1.0 O B:TYR253 2.1 25.9 1.0 O B:HOH544 2.2 21.5 1.0 CG B:ASP197 3.2 25.6 1.0 C B:TYR253 3.3 27.4 1.0 O B:HOH599 3.8 29.0 1.0 CA B:GLY254 3.9 29.7 1.0 CA B:ASP197 4.0 25.3 1.0 N B:GLY254 4.0 29.4 1.0 O B:HOH632 4.0 40.2 1.0 OD2 B:ASP197 4.1 24.8 1.0 CB B:ASP197 4.1 24.9 1.0 N B:TYR253 4.3 27.7 1.0 CA B:TYR253 4.4 28.4 1.0 O B:LEU198 4.4 23.2 1.0 C B:ASP197 4.4 25.1 1.0 O B:VAL193 4.5 24.8 1.0 C B:ALA252 4.6 25.1 1.0 O B:ASP197 4.7 23.7 1.0 CB B:ALA252 4.9 24.1 1.0 O B:LYS194 4.9 26.6 1.0 CB B:TYR253 5.0 29.3 1.0

Y.X.Wang, C.Suzuki-Minakuchi, H.Nojiri. Oxygen-Exposed Carbazole-Soaked Reduced Terminal Oxygenase of Carbazole 1,9A-Dioxygenase with To Be Published.