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

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

The structure of Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form III, PDB code: 4bln 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)	47.300 / 1.15
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	94.600, 94.600, 38.370, 90.00, 90.00, 90.00
R / Rfree (%)	16.61 / 19.15

The structure of Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form III 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 III (pdb code 4bln). 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 III, PDB code: 4bln:
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 III


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 III within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:12.7 occ:1.00 OD1 A:ASP49 2.3 14.2 1.0 HG A:SER65 2.4 17.8 1.0 O A:HOH2104 2.4 14.6 1.0 OG A:SER65 2.4 14.9 1.0 O A:GLY61 2.5 13.0 1.0 OD1 A:ASP63 2.5 15.1 1.0 O A:HOH2097 2.5 14.3 1.0 O A:ASP49 2.5 12.6 1.0 HA A:ASP49 3.3 13.8 1.0 H A:SER65 3.3 17.6 1.0 H A:ASP63 3.4 16.0 1.0 CG A:ASP49 3.4 13.2 1.0 C A:ASP49 3.4 12.5 1.0 CG A:ASP63 3.5 15.5 1.0 HB3 A:SER65 3.5 18.5 1.0 CB A:SER65 3.6 15.5 1.0 C A:GLY61 3.7 13.2 1.0 CA A:ASP49 3.8 11.5 1.0 H A:ILE66 3.9 20.2 1.0 N A:SER65 4.0 14.7 1.0 HB2 A:SER134 4.0 18.7 1.0 OD2 A:ASP63 4.0 16.2 1.0 N A:ASP63 4.1 13.3 1.0 OD2 A:ASP49 4.2 13.7 1.0 CB A:ASP49 4.2 12.3 1.0 O A:HOH2121 4.2 16.5 1.0 H A:GLY61 4.3 17.4 1.0 CA A:SER65 4.3 15.5 1.0 HA3 A:GLY52 4.3 16.1 1.0 HB2 A:SER65 4.3 18.5 1.0 HA A:ALA62 4.3 15.0 1.0 H A:GLY64 4.3 16.4 1.0 N A:GLY61 4.4 14.6 1.0 CA A:GLY61 4.4 13.8 1.0 N A:ILE66 4.5 16.8 1.0 HA2 A:GLY61 4.5 16.6 1.0 H A:GLY52 4.5 15.3 1.0 HA A:ALA50 4.5 14.2 1.0 N A:ALA50 4.5 12.6 1.0 HB A:ILE66 4.6 18.5 1.0 OE2 A:GLU73 4.6 17.1 1.0 O A:GLY52 4.6 13.9 1.0 N A:GLY64 4.7 13.7 1.0 N A:ALA62 4.7 12.4 1.0 CB A:ASP63 4.7 15.7 1.0 OE1 A:GLU73 4.7 16.8 1.0 HB3 A:ASP49 4.8 14.8 1.0 C A:SER65 4.8 16.5 1.0 CA A:ASP63 4.8 14.0 1.0 HB2 A:ASP49 4.8 14.8 1.0 CA A:ALA62 4.9 12.6 1.0 O A:HIS48 4.9 13.0 1.0 H A:GLY60 4.9 20.5 1.0 C A:GLY60 4.9 15.5 1.0 CA A:ALA50 5.0 11.8 1.0 C A:ASP63 5.0 14.3 1.0 HB3 A:ASP63 5.0 18.8 1.0 CB A:SER134 5.0 15.6 1.0 CA A:GLY52 5.0 13.5 1.0

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


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 III within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:7.9 occ:1.00 O A:THR190 2.4 9.1 1.0 O A:SER171 2.4 8.2 1.0 O A:VAL193 2.5 8.6 1.0 OD2 A:ASP188 2.5 8.2 1.0 OD1 A:ASP195 2.5 9.2 1.0 OG1 A:THR190 2.5 9.6 1.0 OG A:SER171 2.6 7.9 1.0 OD1 A:ASP188 2.7 8.5 1.0 CG A:ASP188 2.9 7.3 1.0 C A:THR190 3.2 9.3 1.0 C A:SER171 3.4 7.7 1.0 CG A:ASP195 3.4 8.7 1.0 HA A:SER171 3.4 8.1 1.0 CB A:THR190 3.5 9.6 1.0 H A:ASP195 3.5 10.7 1.0 CB A:SER171 3.6 6.8 1.0 HB A:THR190 3.6 11.5 1.0 C A:VAL193 3.7 8.8 1.0 CA A:SER171 3.7 6.8 1.0 H A:THR190 3.7 11.8 1.0 H A:VAL193 3.7 11.5 1.0 HB2 A:GLN197 3.7 10.7 1.0 OD2 A:ASP195 3.8 9.9 1.0 CA A:THR190 3.8 10.1 1.0 HB A:VAL193 3.9 14.1 1.0 HA A:PRO191 3.9 11.3 1.0 HB3 A:SER171 4.1 8.2 1.0 N A:ASP195 4.2 8.9 1.0 HG21 A:ILE172 4.2 11.1 1.0 HA A:PHE194 4.2 10.2 1.0 N A:THR190 4.2 9.9 1.0 N A:PRO191 4.2 10.1 1.0 HB2 A:SER171 4.3 8.2 1.0 H A:PHE198 4.4 8.8 1.0 N A:VAL193 4.4 9.6 1.0 CB A:ASP188 4.5 8.4 1.0 CA A:VAL193 4.5 10.2 1.0 H A:GLN197 4.5 9.9 1.0 CA A:PRO191 4.5 9.5 1.0 HG23 A:ILE172 4.5 11.1 1.0 O A:HOH2268 4.6 8.6 1.0 O A:ASP195 4.6 7.9 1.0 N A:ILE172 4.6 7.4 1.0 HA A:ILE172 4.6 9.5 1.0 CB A:ASP195 4.6 10.3 1.0 CB A:VAL193 4.6 11.8 1.0 N A:PHE194 4.6 8.9 1.0 CB A:GLN197 4.7 8.9 1.0 CA A:ASP195 4.7 8.6 1.0 HB2 A:ASP188 4.8 10.1 1.0 HA A:THR190 4.8 12.1 1.0 CA A:PHE194 4.8 8.5 1.0 HB3 A:ASP188 4.8 10.1 1.0 CG2 A:THR190 4.8 11.2 1.0 CG2 A:ILE172 4.8 9.3 1.0 C A:ASP195 4.8 8.0 1.0 C A:PHE194 4.9 9.5 1.0 HB2 A:PHE198 4.9 8.6 1.0 HG13 A:VAL193 4.9 14.3 1.0 HB3 A:ASP195 4.9 12.3 1.0 C A:PRO191 5.0 9.9 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