Iron in PDB 7znm: Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution

All present enzymatic activity of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution:
1.11.2.1;

The structure of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution, PDB code: 7znm was solved by W.X.Q.Robinson, T.Mielke, G.Grogan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.82 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.34, 75.822, 151.696, 90, 90, 90
R / Rfree (%)	18.3 / 21.9

The structure of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution also contains other interesting chemical elements:

Chlorine	(Cl)	11 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Iron atom in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution (pdb code 7znm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution, PDB code: 7znm:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:20.7 occ:1.00 FE A:HEM301 0.0 20.7 1.0 ND A:HEM301 1.9 20.9 1.0 NA A:HEM301 2.0 19.4 1.0 NC A:HEM301 2.1 20.4 1.0 NB A:HEM301 2.1 20.6 1.0 SG A:CYS24 2.3 22.9 1.0 O A:HOH518 2.4 33.9 1.0 C4D A:HEM301 2.9 20.0 1.0 C1D A:HEM301 2.9 20.6 1.0 C1A A:HEM301 3.0 19.8 1.0 C4B A:HEM301 3.0 23.4 1.0 C4C A:HEM301 3.0 21.5 1.0 C1B A:HEM301 3.1 20.9 1.0 C4A A:HEM301 3.1 19.5 1.0 C1C A:HEM301 3.1 22.1 1.0 CHA A:HEM301 3.4 19.4 1.0 CHD A:HEM301 3.4 20.2 1.0 CHC A:HEM301 3.4 23.3 1.0 CB A:CYS24 3.4 23.6 1.0 CHB A:HEM301 3.4 20.0 1.0 C3D A:HEM301 4.2 20.4 1.0 C2D A:HEM301 4.2 19.8 1.0 C2A A:HEM301 4.2 20.6 1.0 C3C A:HEM301 4.2 22.8 1.0 C3A A:HEM301 4.2 19.4 1.0 C2C A:HEM301 4.3 22.5 1.0 C2B A:HEM301 4.3 21.9 1.0 C3B A:HEM301 4.3 24.5 1.0 CA A:CYS24 4.3 23.2 1.0 OE2 A:GLU164 5.0 37.2 1.0 CG A:GLU164 5.0 25.8 1.0

Iron binding site 2 out of 2 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:20.7 occ:1.00 FE B:HEM301 0.0 20.7 1.0 ND B:HEM301 1.9 21.2 1.0 NA B:HEM301 2.0 20.1 1.0 NC B:HEM301 2.0 21.4 1.0 NB B:HEM301 2.1 21.6 1.0 SG B:CYS24 2.3 23.7 1.0 O B:HOH523 2.4 29.7 1.0 C4D B:HEM301 2.9 21.3 1.0 C1D B:HEM301 2.9 19.8 1.0 C1A B:HEM301 3.0 20.3 1.0 C4C B:HEM301 3.0 21.6 1.0 C4B B:HEM301 3.0 21.9 1.0 C1B B:HEM301 3.0 21.6 1.0 C1C B:HEM301 3.1 20.8 1.0 C4A B:HEM301 3.1 20.4 1.0 CHA B:HEM301 3.4 21.0 1.0 CHD B:HEM301 3.4 21.3 1.0 CHC B:HEM301 3.4 20.8 1.0 CB B:CYS24 3.4 21.4 1.0 CHB B:HEM301 3.4 20.8 1.0 C3D B:HEM301 4.2 21.1 1.0 C3C B:HEM301 4.2 21.8 1.0 C2D B:HEM301 4.2 19.9 1.0 C2A B:HEM301 4.2 20.8 1.0 C2C B:HEM301 4.2 21.9 1.0 C3A B:HEM301 4.3 20.8 1.0 CA B:CYS24 4.3 20.6 1.0 C2B B:HEM301 4.3 23.0 1.0 C3B B:HEM301 4.3 24.1 1.0

W.X.Q.Robinson, T.Mielke, B.Melling, A.Cuetos, A.Parkin, W.P.Unsworth, J.Cartwright, G.Grogan. Comparing the Catalytic and Structural Characteristics of A 'Short' Unspecific Peroxygenase (Upo) Expressed in Pichia Pastoris and Escherichia Coli. Chembiochem V. 24 00558 2023.
ISSN: ESSN 1439-7633
PubMed: 36374006
DOI: 10.1002/CBIC.202200558