Calcium in PDB 4bly: Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form V

All present enzymatic activity of Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form V:
1.11.1.16;

The structure of Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form V, PDB code: 4bly 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)	41.940 / 1.79
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	93.780, 93.780, 38.150, 90.00, 90.00, 90.00
R / Rfree (%)	16.57 / 20.29

The structure of Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form V also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form V (pdb code 4bly). 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 I From Pleurotus Ostreatus - Crystal Form V, PDB code: 4bly:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form V


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 I From Pleurotus Ostreatus - Crystal Form V within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:15.6 occ:1.00 OD1 A:ASP49 2.5 14.0 1.0 O A:GLY61 2.5 13.4 1.0 O A:HOH2059 2.5 15.4 1.0 O A:ASP49 2.6 13.1 1.0 O A:HOH2055 2.6 14.7 1.0 OD1 A:ASP63 2.6 15.8 1.0 OG A:SER65 2.6 16.4 1.0 C A:ASP49 3.4 13.2 1.0 CG A:ASP49 3.5 15.8 1.0 CG A:ASP63 3.6 17.8 1.0 C A:GLY61 3.6 14.7 1.0 CB A:SER65 3.7 15.2 1.0 CA A:ASP49 3.8 14.1 1.0 N A:SER65 3.9 17.6 1.0 N A:ASP63 4.1 15.8 1.0 OD2 A:ASP63 4.1 17.6 1.0 O A:HOH2072 4.2 17.7 1.0 OD2 A:ASP49 4.2 14.1 1.0 CB A:ASP49 4.3 13.2 1.0 CA A:SER65 4.3 16.7 1.0 N A:GLY61 4.3 16.1 1.0 CA A:GLY61 4.3 13.8 1.0 N A:ILE66 4.4 15.4 1.0 OE2 A:GLU73 4.5 16.5 1.0 O A:GLY52 4.6 14.6 1.0 N A:ALA50 4.6 12.2 1.0 N A:GLY64 4.6 15.1 1.0 N A:ALA62 4.7 14.0 1.0 OE1 A:GLU73 4.7 17.5 1.0 CB A:ASP63 4.7 17.5 1.0 C A:SER65 4.8 16.1 1.0 CA A:ASP63 4.8 18.1 1.0 CA A:ALA62 4.8 14.7 1.0 CB A:SER134 4.8 15.2 1.0 O A:HIS48 4.9 14.2 1.0 CA A:ALA50 4.9 12.7 1.0 C A:ASP63 4.9 17.1 1.0 CA A:GLY52 5.0 13.9 1.0 C A:GLY64 5.0 15.8 1.0 C A:GLY60 5.0 17.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form V


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 I From Pleurotus Ostreatus - Crystal Form V within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:12.5 occ:1.00 O A:THR190 2.5 11.9 1.0 OD2 A:ASP188 2.5 10.4 1.0 O A:SER171 2.5 12.3 1.0 OD1 A:ASP195 2.5 12.2 1.0 O A:VAL193 2.6 12.1 1.0 OG A:SER171 2.6 11.3 1.0 OG1 A:THR190 2.6 13.4 1.0 OD1 A:ASP188 2.8 11.0 1.0 CG A:ASP188 3.0 12.6 1.0 C A:THR190 3.3 15.1 1.0 CG A:ASP195 3.4 12.8 1.0 C A:SER171 3.4 11.3 1.0 CB A:THR190 3.6 13.6 1.0 CB A:SER171 3.7 9.5 1.0 CA A:SER171 3.7 10.9 1.0 C A:VAL193 3.8 13.1 1.0 OD2 A:ASP195 3.8 13.7 1.0 CA A:THR190 3.9 14.3 1.0 N A:ASP195 4.2 10.9 1.0 N A:THR190 4.2 12.7 1.0 N A:PRO191 4.3 14.6 1.0 N A:VAL193 4.4 11.8 1.0 O A:ASP195 4.5 11.9 1.0 CA A:PRO191 4.5 13.3 1.0 CB A:ASP188 4.5 11.2 1.0 CA A:VAL193 4.5 12.4 1.0 O A:HOH2174 4.6 12.8 1.0 CB A:ASP195 4.6 12.1 1.0 N A:ILE172 4.6 9.9 1.0 CB A:VAL193 4.7 13.0 1.0 CB A:GLN197 4.7 12.2 1.0 N A:PHE194 4.7 12.9 1.0 CA A:ASP195 4.7 12.1 1.0 CA A:PHE194 4.8 13.0 1.0 C A:ASP195 4.8 12.8 1.0 CG2 A:ILE172 4.8 12.7 1.0 CG2 A:THR190 4.9 16.6 1.0 C A:PHE194 4.9 13.1 1.0 C A:PRO191 4.9 14.7 1.0 N A:PHE198 5.0 11.6 1.0

E.Fernandez-Fueyo, F.J.Ruiz-Duenas, M.J.Martinez, A.Romero, K.E.Hammel, F.J.Medrano, A.T.Martinez. Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels V. 7 2 2014.
ISSN: ISSN 1754-6834
PubMed: 24387130
DOI: 10.1186/1754-6834-7-2