Magnesium in PDB 8pwy: Dye-Decolourising Peroxidase Dtpb (112 Kgy)

The structure of Dye-Decolourising Peroxidase Dtpb (112 Kgy), PDB code: 8pwy was solved by M.Lucic, J.A.R.Worrall, M.A.Hough, R.L.Owen, R.W.Strange, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.07 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.771, 121.825, 199.518, 90, 90, 90
R / Rfree (%)	19.8 / 22.3

The structure of Dye-Decolourising Peroxidase Dtpb (112 Kgy) also contains other interesting chemical elements:

Iron

(Fe)

6 atoms

The binding sites of Magnesium atom in the Dye-Decolourising Peroxidase Dtpb (112 Kgy) (pdb code 8pwy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Dye-Decolourising Peroxidase Dtpb (112 Kgy), PDB code: 8pwy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Dye-Decolourising Peroxidase Dtpb (112 Kgy)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Dye-Decolourising Peroxidase Dtpb (112 Kgy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:22.1 occ:1.00 O A:HOH501 2.0 21.1 1.0 OD2 A:ASP191 2.1 20.6 1.0 O A:HOH548 2.2 19.3 1.0 CG A:ASP191 3.2 20.6 1.0 OE1 A:GLU254 3.8 34.5 1.0 CB A:ASP191 3.8 19.8 1.0 OD1 A:ASP189 4.1 20.9 1.0 O A:HOH578 4.1 24.2 1.0 OD1 A:ASP191 4.1 22.8 1.0 NH1 C:ARG127 4.2 40.0 1.0 O A:HOH562 4.2 32.8 1.0 N A:ASP191 4.6 19.6 1.0 CA A:ASP191 4.9 18.7 1.0

Magnesium binding site 2 out of 2 in the Dye-Decolourising Peroxidase Dtpb (112 Kgy)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Dye-Decolourising Peroxidase Dtpb (112 Kgy) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg403 b:39.2 occ:1.00 O C:HOH515 2.2 24.6 1.0 O C:HOH563 2.2 42.4 1.0 O C:HOH560 2.3 40.9 1.0 OD2 C:ASP29 4.2 33.6 1.0 O C:VAL130 4.3 20.9 1.0 OG1 C:THR131 4.4 23.1 1.0 N C:GLY128 4.9 30.4 1.0 CA C:GLY128 5.0 30.2 1.0 O C:HOH526 5.0 37.7 1.0

M.Lucic, J.A.R.Worrall, M.A.Hough, R.L.Owen, R.W.Strange. Dye-Decolourising Peroxidase Dtpb (56 Kgy) To Be Published.