Iron in PDB 7zbp: Unspecific Peroxygenase From Marasmius Rotula

All present enzymatic activity of Unspecific Peroxygenase From Marasmius Rotula:
1.11.2.1;

The structure of Unspecific Peroxygenase From Marasmius Rotula, PDB code: 7zbp 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)	73.44 / 1.45
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	100.349, 107.44, 186.231, 90, 90, 90
R / Rfree (%)	15.8 / 18.4

The structure of Unspecific Peroxygenase From Marasmius Rotula also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Iron atom in the Unspecific Peroxygenase From Marasmius Rotula (pdb code 7zbp). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Unspecific Peroxygenase From Marasmius Rotula, PDB code: 7zbp:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Unspecific Peroxygenase From Marasmius Rotula


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 Marasmius Rotula within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:8.2 occ:1.00 FE A:HEM303 0.0 8.2 1.0 ND A:HEM303 2.0 8.5 1.0 NA A:HEM303 2.0 8.0 1.0 NC A:HEM303 2.0 7.8 1.0 NB A:HEM303 2.1 8.5 1.0 OXT A:ACT305 2.3 23.4 1.0 SG A:CYS17 2.4 9.1 1.0 C1D A:HEM303 3.0 7.9 1.0 C4D A:HEM303 3.0 8.1 1.0 C4C A:HEM303 3.0 9.4 1.0 C4B A:HEM303 3.0 9.8 1.0 C4A A:HEM303 3.1 8.0 1.0 C1C A:HEM303 3.1 9.2 1.0 C1B A:HEM303 3.1 8.6 1.0 C1A A:HEM303 3.1 7.8 1.0 C A:ACT305 3.3 24.8 1.0 CB A:CYS17 3.4 8.5 1.0 CHD A:HEM303 3.4 9.2 1.0 CHC A:HEM303 3.4 9.2 1.0 CHA A:HEM303 3.4 7.4 1.0 CHB A:HEM303 3.5 8.4 1.0 CH3 A:ACT305 4.1 24.2 1.0 O A:ACT305 4.2 20.0 1.0 CA A:CYS17 4.2 7.6 1.0 C3B A:HEM303 4.3 10.1 1.0 C2C A:HEM303 4.3 9.4 1.0 C3A A:HEM303 4.3 8.2 1.0 C2A A:HEM303 4.3 8.3 1.0 C3D A:HEM303 4.3 8.5 1.0 C3C A:HEM303 4.3 9.7 1.0 C2D A:HEM303 4.3 8.2 1.0 C2B A:HEM303 4.3 10.1 1.0 CD2 A:PHE160 4.7 24.4 1.0 CG A:GLU157 4.9 9.6 1.0 C A:CYS17 4.9 8.1 1.0 CE2 A:PHE160 4.9 31.7 1.0 N A:GLY19 4.9 8.3 1.0 OE2 A:GLU157 5.0 12.2 1.0

Iron binding site 2 out of 4 in the Unspecific Peroxygenase From Marasmius Rotula


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 Marasmius Rotula within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:8.8 occ:1.00 FE B:HEM301 0.0 8.8 1.0 NA B:HEM301 2.0 8.6 1.0 ND B:HEM301 2.0 8.5 1.0 NB B:HEM301 2.1 9.0 1.0 NC B:HEM301 2.1 8.8 1.0 OXT B:ACT303 2.3 20.6 1.0 SG B:CYS17 2.4 9.3 1.0 C1D B:HEM301 3.0 8.1 1.0 C4D B:HEM301 3.0 8.1 1.0 C1A B:HEM301 3.0 8.6 1.0 C4B B:HEM301 3.1 9.0 1.0 C4A B:HEM301 3.1 9.0 1.0 C1B B:HEM301 3.1 8.9 1.0 C4C B:HEM301 3.1 8.7 1.0 C1C B:HEM301 3.1 9.1 1.0 C B:ACT303 3.3 22.7 1.0 CHA B:HEM301 3.4 7.8 1.0 CHB B:HEM301 3.4 9.2 1.0 CB B:CYS17 3.4 8.2 1.0 CHD B:HEM301 3.4 8.9 1.0 CHC B:HEM301 3.4 9.2 1.0 O B:ACT303 4.0 19.8 1.0 CH3 B:ACT303 4.2 22.3 1.0 CA B:CYS17 4.2 7.9 1.0 C3A B:HEM301 4.3 8.3 1.0 C2A B:HEM301 4.3 8.1 1.0 C3C B:HEM301 4.3 9.6 1.0 C2D B:HEM301 4.3 7.9 1.0 C3D B:HEM301 4.3 7.8 1.0 C2C B:HEM301 4.3 9.6 1.0 C3B B:HEM301 4.3 9.8 1.0 C2B B:HEM301 4.3 8.8 1.0 OE2 B:GLU157 4.9 12.7 1.0 CG B:GLU157 4.9 9.5 1.0 N B:GLY19 4.9 7.3 1.0 C B:CYS17 5.0 8.1 1.0 CD2 B:PHE160 5.0 19.3 1.0

Iron binding site 3 out of 4 in the Unspecific Peroxygenase From Marasmius Rotula


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Unspecific Peroxygenase From Marasmius Rotula within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:11.1 occ:1.00 FE C:HEM301 0.0 11.1 1.0 ND C:HEM301 2.0 10.3 1.0 NA C:HEM301 2.0 10.4 1.0 NC C:HEM301 2.0 11.9 1.0 NB C:HEM301 2.1 11.0 1.0 O C:ACT303 2.3 23.8 1.0 SG C:CYS17 2.3 11.7 1.0 C4D C:HEM301 3.0 10.2 1.0 C1D C:HEM301 3.0 10.8 1.0 C1A C:HEM301 3.0 10.0 1.0 C1B C:HEM301 3.0 10.1 1.0 C4B C:HEM301 3.1 12.0 1.0 C1C C:HEM301 3.1 12.9 1.0 C4C C:HEM301 3.1 13.1 1.0 C4A C:HEM301 3.1 10.0 1.0 C C:ACT303 3.3 31.1 1.0 CHA C:HEM301 3.4 9.8 1.0 CB C:CYS17 3.4 10.8 1.0 CHC C:HEM301 3.4 11.7 1.0 CHB C:HEM301 3.4 10.6 1.0 CHD C:HEM301 3.4 11.1 1.0 OXT C:ACT303 4.0 22.6 1.0 CH3 C:ACT303 4.2 31.6 1.0 C3D C:HEM301 4.2 10.4 1.0 C2D C:HEM301 4.2 11.4 1.0 C3A C:HEM301 4.3 10.6 1.0 C2A C:HEM301 4.3 9.9 1.0 C3B C:HEM301 4.3 13.7 1.0 CA C:CYS17 4.3 10.5 1.0 C2C C:HEM301 4.3 13.2 1.0 C2B C:HEM301 4.3 11.4 1.0 C3C C:HEM301 4.3 13.7 1.0 CG C:GLU157 4.9 10.9 1.0 N C:GLY19 4.9 10.9 1.0 CD2 C:PHE160 4.9 20.2 1.0 C C:CYS17 5.0 10.6 1.0 OE2 C:GLU157 5.0 14.0 1.0

Iron binding site 4 out of 4 in the Unspecific Peroxygenase From Marasmius Rotula


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Unspecific Peroxygenase From Marasmius Rotula within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe301 b:15.1 occ:1.00 FE D:HEM301 0.0 15.1 1.0 ND D:HEM301 1.9 14.9 1.0 NA D:HEM301 2.0 15.4 1.0 NB D:HEM301 2.0 15.8 1.0 NC D:HEM301 2.1 15.3 1.0 O D:ACT303 2.3 28.0 1.0 SG D:CYS17 2.4 16.5 1.0 C4D D:HEM301 2.9 12.7 1.0 C1A D:HEM301 3.0 13.6 1.0 C1D D:HEM301 3.0 15.3 1.0 C4B D:HEM301 3.0 15.8 1.0 C1B D:HEM301 3.1 14.8 1.0 C1C D:HEM301 3.1 15.6 1.0 C4A D:HEM301 3.1 14.3 1.0 C4C D:HEM301 3.1 16.6 1.0 C D:ACT303 3.3 27.9 1.0 CHA D:HEM301 3.3 14.4 1.0 CB D:CYS17 3.4 17.0 1.0 CHB D:HEM301 3.4 15.0 1.0 CHC D:HEM301 3.4 16.1 1.0 CHD D:HEM301 3.4 14.6 1.0 CH3 D:ACT303 4.0 28.3 1.0 OXT D:ACT303 4.1 25.6 1.0 C3D D:HEM301 4.2 13.7 1.0 C3A D:HEM301 4.2 13.4 1.0 C2D D:HEM301 4.3 14.3 1.0 C2A D:HEM301 4.3 14.2 1.0 C3C D:HEM301 4.3 16.3 1.0 C2B D:HEM301 4.3 15.4 1.0 C2C D:HEM301 4.3 15.6 1.0 C3B D:HEM301 4.3 17.0 1.0 CA D:CYS17 4.3 16.1 1.0 CG D:GLU157 4.9 15.6 1.0 OE2 D:GLU157 4.9 17.4 1.0 CD2 D:PHE160 4.9 25.4 1.0 C D:CYS17 5.0 16.1 1.0 N D:GLY19 5.0 15.1 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