Magnesium in PDB 7qzf: Sfx Structure of Dye-Type Peroxidase Dtpb D152A/N245A Variant in the Ferric State

The structure of Sfx Structure of Dye-Type Peroxidase Dtpb D152A/N245A Variant in the Ferric State, PDB code: 7qzf was solved by M.Lucic, J.A.R.Worrall, M.A.Hough, A.Shilova, R.L.Owen, D.Axford, T.Tosha, H.Sugimoto, S.Owada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.10 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.95, 121.83, 199.5, 90, 90, 90
R / Rfree (%)	21.8 / 26.9

The structure of Sfx Structure of Dye-Type Peroxidase Dtpb D152A/N245A Variant in the Ferric State also contains other interesting chemical elements:

Iron

(Fe)

6 atoms

The binding sites of Magnesium atom in the Sfx Structure of Dye-Type Peroxidase Dtpb D152A/N245A Variant in the Ferric State (pdb code 7qzf). 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 Sfx Structure of Dye-Type Peroxidase Dtpb D152A/N245A Variant in the Ferric State, PDB code: 7qzf:

Magnesium binding site 1 out of 1 in the Sfx Structure of Dye-Type Peroxidase Dtpb D152A/N245A Variant in the Ferric State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Sfx Structure of Dye-Type Peroxidase Dtpb D152A/N245A Variant in the Ferric State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:36.2 occ:1.00 OD2 A:ASP191 2.0 27.0 1.0 O A:HOH573 2.1 35.2 1.0 O A:HOH563 2.4 23.7 1.0 O A:HOH502 2.4 21.8 1.0 CG A:ASP191 3.1 24.5 1.0 CB A:ASP191 3.8 23.4 1.0 NH1 C:ARG127 3.9 42.5 1.0 OE1 A:GLU254 3.9 35.1 1.0 OD1 A:ASP191 4.1 26.2 1.0 OD1 A:ASP189 4.2 27.5 1.0 O A:HOH607 4.3 21.4 1.0 O C:HOH589 4.3 31.4 1.0 O A:HOH606 4.4 19.8 1.0 N A:ASP191 4.8 28.0 1.0 CA A:ASP191 4.9 23.2 1.0

M.Lucic, M.T.Wilson, T.Tosha, H.Sugimoto, A.Shilova, D.Axford, R.L.Owen, M.A.Hough, J.A.R.Worrall. Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase Dtpb. Acs Catalysis V. 12 13349 2022.
ISSN: ESSN 2155-5435
PubMed: 36366763
DOI: 10.1021/ACSCATAL.2C03754