Magnesium 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:

Iron

(Fe)

4 atoms

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

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Unspecific Peroxygenase From Marasmius Rotula within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:6.2 occ:1.00 OE2 A:GLU85 2.1 10.3 1.0 O A:HOH529 2.1 9.5 1.0 O1D A:HEM303 2.2 8.1 1.0 O A:HOH501 2.2 10.6 1.0 O A:HIS86 2.2 10.1 1.0 OG A:SER89 2.2 10.1 1.0 CD A:GLU85 3.1 10.0 1.0 CGD A:HEM303 3.1 8.6 1.0 C A:HIS86 3.3 9.1 1.0 CB A:SER89 3.4 9.4 1.0 O2D A:HEM303 3.5 8.8 1.0 N A:HIS86 3.5 8.9 1.0 CG A:GLU85 3.6 10.3 1.0 CA A:HIS86 4.0 8.5 1.0 O A:HOH475 4.1 11.4 1.0 O A:HOH487 4.2 9.5 1.0 OE1 A:GLU85 4.2 10.8 1.0 ND1 A:HIS86 4.3 8.1 1.0 N A:ASP87 4.3 9.4 1.0 O A:HOH429 4.4 9.9 1.0 CA A:SER89 4.5 8.4 1.0 CBD A:HEM303 4.5 8.3 1.0 N A:SER89 4.5 8.9 1.0 C A:GLU85 4.5 8.4 1.0 CE1 A:HIS86 4.5 8.6 1.0 O A:ASN100 4.5 9.3 1.0 CA A:ASP87 4.6 9.3 1.0 CB A:ARG92 4.6 9.1 1.0 CG A:HIS86 4.6 8.1 1.0 O A:GLU93 4.7 12.1 1.0 CA A:GLU85 4.7 8.6 1.0 CB A:ASN100 4.8 10.8 1.0 CB A:GLU85 4.8 9.0 1.0 C A:ASP87 4.8 9.6 1.0 CB A:HIS86 5.0 8.2 1.0 CAD A:HEM303 5.0 8.2 1.0

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Unspecific Peroxygenase From Marasmius Rotula within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:5.9 occ:1.00 OE2 B:GLU85 2.1 10.7 1.0 O1D B:HEM301 2.1 8.2 1.0 O B:HOH487 2.2 11.0 1.0 O B:HIS86 2.2 9.5 1.0 O B:HOH518 2.2 9.6 1.0 OG B:SER89 2.2 9.9 1.0 CGD B:HEM301 3.1 8.8 1.0 CD B:GLU85 3.1 10.7 1.0 C B:HIS86 3.3 9.9 1.0 O2D B:HEM301 3.4 10.1 1.0 CB B:SER89 3.5 9.6 1.0 N B:HIS86 3.6 9.0 1.0 CG B:GLU85 3.6 10.3 1.0 CA B:HIS86 4.0 9.3 1.0 O B:HOH526 4.1 12.8 1.0 O B:HOH505 4.2 9.3 1.0 OE1 B:GLU85 4.2 11.6 1.0 ND1 B:HIS86 4.3 10.4 1.0 N B:ASP87 4.4 10.4 1.0 O B:HOH426 4.4 11.6 1.0 CBD B:HEM301 4.4 8.3 1.0 CA B:SER89 4.5 9.7 1.0 C B:GLU85 4.5 8.7 1.0 CE1 B:HIS86 4.5 10.0 1.0 N B:SER89 4.5 10.2 1.0 O B:ASN100 4.6 11.0 1.0 CB B:ARG92 4.6 10.4 1.0 CG B:HIS86 4.7 8.9 1.0 O B:GLU93 4.7 13.5 1.0 CA B:ASP87 4.7 11.3 1.0 CA B:GLU85 4.7 9.4 1.0 CB B:ASN100 4.7 11.1 1.0 CB B:GLU85 4.8 9.8 1.0 C B:ASP87 4.9 11.6 1.0 CAD B:HEM301 5.0 7.7 1.0

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Unspecific Peroxygenase From Marasmius Rotula within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:8.5 occ:1.00 OE2 C:GLU85 2.1 12.6 1.0 O1D C:HEM301 2.1 10.3 1.0 O C:HOH530 2.1 12.0 1.0 O C:HIS86 2.2 10.4 1.0 O C:HOH446 2.2 12.4 1.0 OG C:SER89 2.2 10.6 1.0 CD C:GLU85 3.1 11.9 1.0 CGD C:HEM301 3.1 11.9 1.0 C C:HIS86 3.3 12.1 1.0 CB C:SER89 3.4 9.6 1.0 O2D C:HEM301 3.4 11.5 1.0 N C:HIS86 3.6 11.4 1.0 CG C:GLU85 3.6 11.7 1.0 CA C:HIS86 4.0 11.3 1.0 O C:HOH496 4.1 12.3 1.0 O C:HOH481 4.1 12.1 1.0 OE1 C:GLU85 4.2 15.0 1.0 ND1 C:HIS86 4.2 11.3 1.0 N C:ASP87 4.4 12.2 1.0 O C:HOH453 4.4 11.8 1.0 CBD C:HEM301 4.4 10.2 1.0 CA C:SER89 4.4 10.3 1.0 N C:SER89 4.5 10.3 1.0 C C:GLU85 4.5 12.4 1.0 CE1 C:HIS86 4.5 10.6 1.0 O C:ASN100 4.6 11.7 1.0 CB C:ARG92 4.6 11.3 1.0 O C:GLU93 4.6 12.9 1.0 CG C:HIS86 4.6 10.6 1.0 CA C:ASP87 4.6 10.9 1.0 CB C:ASN100 4.7 12.5 1.0 CA C:GLU85 4.7 11.6 1.0 CB C:GLU85 4.8 10.7 1.0 C C:ASP87 4.9 10.2 1.0 CB C:HIS86 5.0 11.2 1.0

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Unspecific Peroxygenase From Marasmius Rotula within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg302 b:12.9 occ:1.00 OE2 D:GLU85 2.1 17.0 1.0 O1D D:HEM301 2.1 15.3 1.0 O D:HOH520 2.1 18.2 1.0 O D:HIS86 2.1 16.2 1.0 OG D:SER89 2.2 15.6 1.0 O D:HOH504 2.2 15.5 1.0 CGD D:HEM301 3.1 14.8 1.0 CD D:GLU85 3.1 18.3 1.0 C D:HIS86 3.3 14.7 1.0 O2D D:HEM301 3.4 16.9 1.0 CB D:SER89 3.4 17.1 1.0 N D:HIS86 3.5 15.3 1.0 CG D:GLU85 3.6 16.6 1.0 O D:HOH499 4.0 18.6 1.0 CA D:HIS86 4.0 14.6 1.0 OE1 D:GLU85 4.1 19.5 1.0 O D:HOH465 4.2 16.4 1.0 ND1 D:HIS86 4.3 15.2 1.0 N D:ASP87 4.4 15.4 1.0 O D:HOH437 4.4 16.7 1.0 CA D:SER89 4.5 15.3 1.0 CBD D:HEM301 4.5 14.3 1.0 C D:GLU85 4.5 16.6 1.0 N D:SER89 4.5 15.5 1.0 O D:ASN100 4.5 20.3 1.0 CE1 D:HIS86 4.5 13.7 1.0 CB D:ARG92 4.6 19.0 1.0 CG D:HIS86 4.7 13.7 1.0 O D:GLU93 4.7 20.7 1.0 CA D:GLU85 4.7 15.2 1.0 CA D:ASP87 4.7 16.5 1.0 CB D:ASN100 4.8 22.8 1.0 CB D:GLU85 4.8 16.3 1.0 C D:ASP87 4.9 18.1 1.0 CB D:HIS86 5.0 14.6 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