Manganese in PDB 3fjw: Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii

All present enzymatic activity of Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii:
1.11.1.16;

The structure of Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii, PDB code: 3fjw was solved by K.Piontek, A.T.Martinez, T.Choinowski, D.A.Plattner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.17 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.141, 92.762, 113.278, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 24.6

The structure of Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Calcium	(Ca)	4 atoms

The binding sites of Manganese atom in the Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii (pdb code 3fjw). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii, PDB code: 3fjw:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn353 b:17.8 occ:1.00 O A:HOH482 2.1 1.6 1.0 O1D A:HEM350 2.2 14.3 1.0 OD2 A:ASP175 2.2 19.0 1.0 OE2 A:GLU40 2.2 18.6 1.0 OE2 A:GLU36 2.2 17.6 1.0 O A:HOH451 2.2 17.6 1.0 CD A:GLU40 3.2 18.7 1.0 CG A:ASP175 3.2 19.5 1.0 CD A:GLU36 3.2 16.7 1.0 CGD A:HEM350 3.3 13.0 1.0 OE1 A:GLU36 3.5 17.1 1.0 CG A:GLU40 3.5 17.8 1.0 OD1 A:ASP175 3.7 19.1 1.0 O2D A:HEM350 4.0 12.7 1.0 O A:HOH432 4.1 43.0 1.0 O A:HOH504 4.2 34.3 1.0 OE1 A:GLU40 4.3 19.4 1.0 CBD A:HEM350 4.3 12.7 1.0 O2A A:HEM350 4.3 8.3 1.0 CB A:ASP175 4.3 19.3 1.0 O A:ALA173 4.4 12.7 1.0 O A:HOH400 4.4 7.7 1.0 CG A:GLU36 4.5 15.9 1.0 N A:ASP175 4.9 18.2 1.0 O A:HOH360 4.9 32.7 1.0 C A:ALA173 4.9 13.4 1.0 CB A:GLU40 5.0 16.5 1.0

Manganese binding site 2 out of 2 in the Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn353 b:19.6 occ:1.00 O B:HOH338 2.1 30.4 1.0 OD2 B:ASP175 2.2 19.5 1.0 O1D B:HEM350 2.2 16.2 1.0 OE2 B:GLU36 2.2 19.5 1.0 O B:HOH346 2.3 15.2 1.0 OE1 B:GLU40 2.4 22.3 1.0 CG B:ASP175 3.1 18.8 1.0 CD B:GLU36 3.3 19.9 1.0 CGD B:HEM350 3.3 14.9 1.0 O B:HOH518 3.4 27.1 1.0 CD B:GLU40 3.4 20.8 1.0 OD1 B:ASP175 3.6 19.4 1.0 OE1 B:GLU36 3.7 20.2 1.0 OE2 B:GLU40 3.7 21.4 1.0 O B:HOH523 3.9 50.0 1.0 O B:ALA173 4.0 13.6 1.0 O2D B:HEM350 4.0 14.5 1.0 CBD B:HEM350 4.3 13.9 1.0 CB B:ASP175 4.3 17.8 1.0 O B:HOH485 4.3 29.5 1.0 O2A B:HEM350 4.4 11.9 1.0 CG B:GLU36 4.6 19.8 1.0 N B:ASP175 4.8 16.5 1.0 CG B:GLU40 4.8 19.9 1.0 C B:ALA173 4.9 13.1 1.0 NH2 B:ARG43 4.9 18.9 1.0

K.Piontek, T.Choinowski, M.Perez-Boada, F.J.Ruiz-Duenas, M.J.Martinez, D.A.Plattner, A.T.Martinez. Structural and Site-Directed Mutagenesis Study of Versatile Peroxidase Oxidizing Both Mn(II) and Aromatic Substrates To Be Published.