Magnesium in PDB 5fuj: Crystallization of A Dimeric Heme Peroxygenase From the Fungus Marasmius Rotula

All present enzymatic activity of Crystallization of A Dimeric Heme Peroxygenase From the Fungus Marasmius Rotula:
1.11.2.1;

The structure of Crystallization of A Dimeric Heme Peroxygenase From the Fungus Marasmius Rotula, PDB code: 5fuj was solved by K.Piontek, E.Strittmatter, D.A.Plattner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.77 / 1.83
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.495, 75.698, 104.430, 90.00, 90.00, 90.00
R / Rfree (%)	15.453 / 18.975

The structure of Crystallization of A Dimeric Heme Peroxygenase From the Fungus Marasmius Rotula also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Magnesium atom in the Crystallization of A Dimeric Heme Peroxygenase From the Fungus Marasmius Rotula (pdb code 5fuj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystallization of A Dimeric Heme Peroxygenase From the Fungus Marasmius Rotula, PDB code: 5fuj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystallization of A Dimeric Heme Peroxygenase From the Fungus Marasmius Rotula


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystallization of A Dimeric Heme Peroxygenase From the Fungus Marasmius Rotula within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg353 b:15.9 occ:1.00 O A:HOH2122 2.1 15.5 1.0 O A:HOH2121 2.1 18.1 1.0 OE2 A:GLU85 2.1 18.1 1.0 O1D A:HEM350 2.2 14.6 1.0 OG A:SER89 2.2 14.7 1.0 O A:HIS86 2.2 14.9 1.0 CGD A:HEM350 3.1 14.8 1.0 CD A:GLU85 3.2 15.7 1.0 C A:HIS86 3.3 17.3 1.0 O2D A:HEM350 3.4 12.7 1.0 CB A:SER89 3.4 12.0 1.0 N A:HIS86 3.5 16.1 1.0 CG A:GLU85 3.7 14.1 1.0 O A:HOH2115 4.0 19.2 1.0 CA A:HIS86 4.0 15.5 1.0 O A:HOH2029 4.1 16.0 1.0 ND1 A:HIS86 4.2 14.2 1.0 OE1 A:GLU85 4.2 18.5 1.0 N A:ASP87 4.4 19.6 1.0 O A:HOH2127 4.4 18.7 1.0 N A:SER89 4.4 19.1 1.0 CA A:SER89 4.4 14.7 1.0 CBD A:HEM350 4.5 12.2 1.0 C A:GLU85 4.5 13.1 1.0 CE1 A:HIS86 4.6 13.5 1.0 O A:ASN100 4.6 17.1 1.0 CB A:ARG92 4.6 17.1 1.0 O A:GLU93 4.6 17.7 1.0 CG A:HIS86 4.6 15.6 1.0 CA A:ASP87 4.7 16.9 1.0 CB A:ASN100 4.8 17.5 1.0 CA A:GLU85 4.8 14.0 1.0 CB A:GLU85 4.8 16.0 1.0 C A:ASP87 4.9 20.3 1.0 CB A:HIS86 5.0 15.6 1.0 CAD A:HEM350 5.0 13.0 1.0

Magnesium binding site 2 out of 2 in the Crystallization of A Dimeric Heme Peroxygenase From the Fungus Marasmius Rotula


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystallization of A Dimeric Heme Peroxygenase From the Fungus Marasmius Rotula within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg353 b:16.5 occ:1.00 O B:HOH2133 2.1 15.5 1.0 OE2 B:GLU85 2.1 15.1 1.0 O B:HOH2132 2.1 16.0 1.0 O2D B:HEM350 2.2 13.9 1.0 OG B:SER89 2.2 15.4 1.0 O B:HIS86 2.2 16.9 1.0 CGD B:HEM350 3.1 14.0 1.0 CD B:GLU85 3.2 14.5 1.0 C B:HIS86 3.3 14.1 1.0 CB B:SER89 3.4 13.7 1.0 O1D B:HEM350 3.4 14.3 1.0 N B:HIS86 3.6 14.7 1.0 CG B:GLU85 3.6 14.1 1.0 O B:HOH2125 4.0 15.9 1.0 CA B:HIS86 4.1 15.4 1.0 O B:HOH2041 4.1 14.5 1.0 OE1 B:GLU85 4.2 17.1 1.0 ND1 B:HIS86 4.3 13.3 1.0 N B:ASP87 4.3 16.1 1.0 O B:HOH2138 4.4 16.1 1.0 CA B:SER89 4.4 16.6 1.0 N B:SER89 4.5 16.0 1.0 CBD B:HEM350 4.5 12.5 1.0 CB B:ARG92 4.5 14.0 1.0 O B:ASN100 4.5 15.8 1.0 C B:GLU85 4.5 15.4 1.0 CE1 B:HIS86 4.6 14.4 1.0 CA B:ASP87 4.6 15.2 1.0 O B:GLU93 4.6 17.4 1.0 CG B:HIS86 4.7 15.1 1.0 CB B:ASN100 4.8 17.6 1.0 CB B:GLU85 4.8 15.9 1.0 CA B:GLU85 4.8 15.0 1.0 C B:ASP87 4.8 14.9 1.0 CAD B:HEM350 5.0 13.9 1.0 CB B:HIS86 5.0 14.2 1.0

K.Piontek, E.Strittmatter, D.A.Plattner. Crystallization of A Dimeric Heme Peroxygenase To Be Published.