Calcium in PDB 5fne: Crystal Structure of Fungal Versatile Peroxidase From Pleurotus Eryngii Triple Mutant E37K, H39R & G330R

All present enzymatic activity of Crystal Structure of Fungal Versatile Peroxidase From Pleurotus Eryngii Triple Mutant E37K, H39R & G330R:
1.11.1.16;

The structure of Crystal Structure of Fungal Versatile Peroxidase From Pleurotus Eryngii Triple Mutant E37K, H39R & G330R, PDB code: 5fne was solved by F.J.Medrano, A.Romero, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.778 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.190, 104.200, 76.600, 90.00, 90.00, 90.00
R / Rfree (%)	19.24 / 22.92

The structure of Crystal Structure of Fungal Versatile Peroxidase From Pleurotus Eryngii Triple Mutant E37K, H39R & G330R also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Fungal Versatile Peroxidase From Pleurotus Eryngii Triple Mutant E37K, H39R & G330R (pdb code 5fne). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Fungal Versatile Peroxidase From Pleurotus Eryngii Triple Mutant E37K, H39R & G330R, PDB code: 5fne:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Fungal Versatile Peroxidase From Pleurotus Eryngii Triple Mutant E37K, H39R & G330R


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Fungal Versatile Peroxidase From Pleurotus Eryngii Triple Mutant E37K, H39R & G330R within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:14.3 occ:1.00 OD1 A:ASP48 2.4 16.9 1.0 OG A:SER64 2.4 12.7 1.0 O A:GLY60 2.4 13.2 1.0 O A:ASP48 2.4 18.1 1.0 OD1 A:ASP62 2.5 14.8 1.0 O A:HOH2079 2.5 15.5 1.0 O A:HOH2089 2.5 14.9 1.0 C A:ASP48 3.3 16.0 1.0 CG A:ASP48 3.4 15.6 1.0 CG A:ASP62 3.5 17.0 1.0 CB A:SER64 3.5 13.9 1.0 C A:GLY60 3.6 14.5 1.0 CA A:ASP48 3.8 15.2 1.0 N A:SER64 4.0 13.6 1.0 OD2 A:ASP62 4.0 18.9 1.0 OD2 A:ASP48 4.1 13.8 1.0 N A:ASP62 4.2 15.3 1.0 O A:HOH2102 4.2 15.7 1.0 CB A:ASP48 4.2 14.2 1.0 CA A:SER64 4.3 12.1 1.0 CA A:GLY60 4.4 15.5 1.0 N A:GLY60 4.4 14.8 1.0 N A:ALA49 4.5 17.2 1.0 N A:ILE65 4.5 12.2 1.0 OE2 A:GLU72 4.5 15.6 1.0 N A:GLY63 4.6 14.2 1.0 N A:ALA61 4.6 15.1 1.0 O A:GLY51 4.7 16.1 1.0 OE1 A:GLU72 4.7 13.6 1.0 CB A:ASP62 4.7 17.3 1.0 CA A:ASP62 4.8 15.7 1.0 C A:SER64 4.8 12.8 1.0 CA A:ALA61 4.8 14.1 1.0 CA A:ALA49 4.9 14.6 1.0 CB A:SER133 4.9 17.2 1.0 C A:ASP62 5.0 15.7 1.0 C A:GLY59 5.0 15.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Fungal Versatile Peroxidase From Pleurotus Eryngii Triple Mutant E37K, H39R & G330R


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Fungal Versatile Peroxidase From Pleurotus Eryngii Triple Mutant E37K, H39R & G330R within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:14.9 occ:1.00 O A:SER170 2.4 15.8 1.0 O A:VAL192 2.4 16.9 1.0 OD1 A:ASP194 2.4 15.7 1.0 OD2 A:ASP187 2.4 14.0 1.0 O A:THR189 2.5 16.7 1.0 OG1 A:THR189 2.5 13.2 1.0 OG A:SER170 2.5 14.3 1.0 OD1 A:ASP187 2.8 14.1 1.0 CG A:ASP187 3.0 15.3 1.0 C A:THR189 3.3 17.0 1.0 C A:SER170 3.3 11.4 1.0 CG A:ASP194 3.3 15.2 1.0 CB A:THR189 3.5 16.0 1.0 C A:VAL192 3.6 15.9 1.0 CB A:SER170 3.6 11.8 1.0 CA A:SER170 3.7 13.3 1.0 OD2 A:ASP194 3.8 13.9 1.0 CA A:THR189 3.9 16.3 1.0 N A:ASP194 4.1 14.3 1.0 N A:THR189 4.3 17.4 1.0 N A:PRO190 4.3 16.3 1.0 CA A:VAL192 4.4 13.0 1.0 N A:VAL192 4.4 14.0 1.0 CA A:PRO190 4.5 17.5 1.0 O A:ASP194 4.5 12.5 1.0 CB A:ASP187 4.5 17.6 1.0 N A:ILE171 4.5 11.8 1.0 CB A:ASP194 4.5 14.4 1.0 O A:HOH2223 4.6 14.2 1.0 N A:PHE193 4.6 15.7 1.0 CB A:VAL192 4.6 14.3 1.0 CB A:GLN196 4.7 15.9 1.0 CA A:ASP194 4.7 13.9 1.0 CA A:PHE193 4.7 15.5 1.0 C A:ASP194 4.8 13.1 1.0 CG2 A:THR189 4.8 18.6 1.0 CG2 A:ILE171 4.9 13.7 1.0 C A:PHE193 4.9 14.8 1.0 N A:PHE197 5.0 14.2 1.0

V.Saez-Jimenez, S.Acebes, E.Garcia-Ruiz, A.Romero, V.Guallar, M.Alcalde, F.J.Medrano, A.T.Martinez, F.J.Ruiz-Duenas. Unveiling the Basis of Alkaline Stability of An Evolved Versatile Peroxidase. Biochem.J. V. 473 1917 2016.
ISSN: ISSN 0264-6021
PubMed: 27118867
DOI: 10.1042/BCJ20160248