Magnesium in PDB 8qyg: Crystal Structure of Nitroreductase From Bacillus Tequilensis

The structure of Crystal Structure of Nitroreductase From Bacillus Tequilensis, PDB code: 8qyg was solved by H.J.Rozeboom, S.Russo, M.W.Fraaije, G.J.Poelarends, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.50 / 1.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.472, 84.279, 100.606, 90, 90, 90
R / Rfree (%)	12.3 / 14.9

The structure of Crystal Structure of Nitroreductase From Bacillus Tequilensis also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Nitroreductase From Bacillus Tequilensis (pdb code 8qyg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Nitroreductase From Bacillus Tequilensis, PDB code: 8qyg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Nitroreductase From Bacillus Tequilensis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Nitroreductase From Bacillus Tequilensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg308 b:23.8 occ:1.00 O A:HOH523 1.9 21.5 1.0 O A:HOH726 2.0 39.2 1.0 O A:HOH663 2.0 29.7 1.0 O A:HOH729 2.1 26.3 1.0 O A:HOH731 2.2 29.5 1.0 O A:HOH463 2.2 32.6 1.0 OD1 A:ASP29 4.0 14.0 1.0 OD2 A:ASP29 4.0 16.2 1.0 O A:HOH697 4.0 37.6 1.0 CG A:ASP29 4.4 13.2 1.0 O A:HOH711 4.6 39.1 1.0 O A:HOH454 4.6 21.8 1.0 CL A:CL307 4.7 11.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Nitroreductase From Bacillus Tequilensis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Nitroreductase From Bacillus Tequilensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:18.1 occ:1.00 O B:HOH429 2.0 17.0 1.0 OD2 B:ASP3 2.1 17.5 1.0 O B:HOH599 2.1 24.4 1.0 O B:HOH605 2.1 21.2 1.0 O B:HOH615 2.1 20.6 1.0 NE2 B:HIS-1 2.1 17.8 1.0 CG B:ASP3 3.1 15.8 1.0 CD2 B:HIS-1 3.1 18.6 1.0 CE1 B:HIS-1 3.1 18.0 1.0 OD1 B:ASP3 3.3 16.6 1.0 O B:HOH726 4.0 50.0 1.0 O B:HOH677 4.0 28.5 1.0 O B:HOH518 4.0 35.6 1.0 ND1 B:HIS-1 4.3 17.6 1.0 CG B:HIS-1 4.3 17.2 1.0 CB B:ASP3 4.4 13.3 1.0 O B:HOH712 4.7 46.5 1.0

H.J.Rozeboom, S.Russo, M.W.Fraaije, G.J.Poelarends. Crystal Structure of Nitroreductase From Bacillus Tequilensis To Be Published.