Iron in PDB 7zcl: Unspecific Peroxygenase From Collariella Virescens

All present enzymatic activity of Unspecific Peroxygenase From Collariella Virescens:
1.11.2.1;

The structure of Unspecific Peroxygenase From Collariella Virescens, PDB code: 7zcl was solved by E.Santillana, A.Romero, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.47 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.476, 140.131, 42.227, 90, 90, 90
R / Rfree (%)	18.8 / 24.2

The structure of Unspecific Peroxygenase From Collariella Virescens also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Iron atom in the Unspecific Peroxygenase From Collariella Virescens (pdb code 7zcl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Unspecific Peroxygenase From Collariella Virescens, PDB code: 7zcl:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Unspecific Peroxygenase From Collariella Virescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Unspecific Peroxygenase From Collariella Virescens within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:13.8 occ:1.00 FE A:HEC301 0.0 13.8 1.0 ND A:HEC301 2.0 15.2 1.0 NA A:HEC301 2.0 18.2 1.0 NC A:HEC301 2.0 18.4 1.0 NB A:HEC301 2.1 15.9 1.0 O A:HOH460 2.1 19.9 1.0 SG A:CYS19 2.4 12.0 1.0 C4D A:HEC301 3.0 14.8 1.0 C1A A:HEC301 3.0 15.8 1.0 C1D A:HEC301 3.1 15.8 1.0 C1C A:HEC301 3.1 22.6 1.0 C4C A:HEC301 3.1 18.0 1.0 C4B A:HEC301 3.1 20.3 1.0 C4A A:HEC301 3.1 16.9 1.0 C1B A:HEC301 3.1 15.7 1.0 CHA A:HEC301 3.4 12.1 1.0 CHC A:HEC301 3.4 22.1 1.0 CHD A:HEC301 3.5 15.7 1.0 CB A:CYS19 3.5 16.8 1.0 CHB A:HEC301 3.5 11.9 1.0 C3D A:HEC301 4.2 16.5 1.0 C2D A:HEC301 4.3 17.0 1.0 C2A A:HEC301 4.3 15.1 1.0 C2C A:HEC301 4.3 21.1 1.0 C3C A:HEC301 4.3 19.2 1.0 C3A A:HEC301 4.3 14.7 1.0 C3B A:HEC301 4.3 15.5 1.0 CA A:CYS19 4.3 14.6 1.0 C2B A:HEC301 4.3 14.3 1.0 CB A:ALA21 4.8 18.1 1.0 CG A:GLU162 4.9 17.4 1.0

Iron binding site 2 out of 2 in the Unspecific Peroxygenase From Collariella Virescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Unspecific Peroxygenase From Collariella Virescens within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:17.6 occ:1.00 FE B:HEC302 0.0 17.6 1.0 ND B:HEC302 2.0 17.8 1.0 NA B:HEC302 2.0 17.9 1.0 NC B:HEC302 2.1 21.4 1.0 NB B:HEC302 2.1 17.7 1.0 SG B:CYS19 2.3 18.1 1.0 O B:HOH481 2.6 29.2 1.0 C4D B:HEC302 3.0 18.5 1.0 C1A B:HEC302 3.0 18.5 1.0 C1D B:HEC302 3.0 21.6 1.0 C4A B:HEC302 3.0 18.0 1.0 C4C B:HEC302 3.1 19.3 1.0 C1C B:HEC302 3.1 18.5 1.0 C1B B:HEC302 3.1 21.3 1.0 C4B B:HEC302 3.1 20.3 1.0 CB B:CYS19 3.3 18.4 1.0 CHA B:HEC302 3.4 15.4 1.0 CHD B:HEC302 3.4 16.6 1.0 CHB B:HEC302 3.4 17.6 1.0 CHC B:HEC302 3.5 21.1 1.0 C3D B:HEC302 4.2 19.7 1.0 C2D B:HEC302 4.2 19.4 1.0 C2A B:HEC302 4.2 18.6 1.0 C3A B:HEC302 4.2 16.0 1.0 CA B:CYS19 4.3 17.5 1.0 C3C B:HEC302 4.3 22.5 1.0 C2C B:HEC302 4.3 23.8 1.0 C2B B:HEC302 4.3 20.2 1.0 C3B B:HEC302 4.3 23.2 1.0 CG B:GLU162 4.8 16.4 1.0 CB B:ALA21 4.9 12.8 1.0 CG B:MET22 5.0 19.8 1.0 C B:CYS19 5.0 13.0 1.0

D.Linde, E.Santillana, E.Fernandez-Fueyo, A.Gonzalez-Benjumea, J.Carro, A.Gutierrez, A.T.Martinez, A.Romero. Structural Characterization of Two Short Unspecific Peroxygenases: Two Different Dimeric Arrangements. Antioxidants V. 11 2022.
ISSN: ESSN 2076-3921
PubMed: 35624755
DOI: 10.3390/ANTIOX11050891