Magnesium in PDB 8pws: Dye-Decolourising Peroxidase Dtpb (56 Kgy)

The structure of Dye-Decolourising Peroxidase Dtpb (56 Kgy), PDB code: 8pws 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)	40.05 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.729, 121.782, 199.52, 90, 90, 90
R / Rfree (%)	19.7 / 22

The structure of Dye-Decolourising Peroxidase Dtpb (56 Kgy) also contains other interesting chemical elements:

Iron

(Fe)

6 atoms

The binding sites of Magnesium atom in the Dye-Decolourising Peroxidase Dtpb (56 Kgy) (pdb code 8pws). 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 (56 Kgy), PDB code: 8pws:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Dye-Decolourising Peroxidase Dtpb (56 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 (56 Kgy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:19.0 occ:1.00 O A:HOH591 2.0 20.4 1.0 O A:HOH556 2.0 21.2 1.0 OD2 A:ASP191 2.1 19.1 1.0 O A:HOH563 2.1 18.0 1.0 O A:HOH501 2.1 19.6 1.0 CG A:ASP191 3.2 18.9 1.0 CB A:ASP191 3.8 17.9 1.0 OE1 A:GLU254 3.8 36.3 1.0 O A:HOH587 4.0 22.0 1.0 O A:HOH586 4.0 35.9 1.0 OD1 A:ASP189 4.1 22.7 1.0 OD1 A:ASP191 4.2 21.0 1.0 NH1 C:ARG127 4.2 37.4 1.0 O A:HOH533 4.3 31.6 1.0 N A:ASP191 4.6 16.6 1.0 CA A:ASP191 4.8 16.4 1.0

Magnesium binding site 2 out of 2 in the Dye-Decolourising Peroxidase Dtpb (56 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 (56 Kgy) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg403 b:42.8 occ:1.00 O C:HOH576 2.0 37.5 1.0 O C:HOH515 2.2 24.6 1.0 O C:HOH579 2.3 22.6 1.0 O C:HOH578 2.7 32.5 1.0 OG1 C:THR131 3.8 22.9 1.0 O C:VAL130 4.0 21.4 1.0 OD2 C:ASP29 4.0 31.4 1.0 CB C:THR131 4.9 22.9 1.0 CA C:THR131 4.9 23.8 1.0 C C:VAL130 4.9 20.5 1.0 CG C:ASP29 5.0 26.7 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.