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

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

The structure of Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form I, PDB code: 4blk 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)	43.156 / 1.05
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	96.500, 96.500, 38.380, 90.00, 90.00, 90.00
R / Rfree (%)	13.04 / 13.69

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


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 I within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:10.5 occ:1.00 O A:HOH2102 2.3 11.1 1.0 OD1 A:ASP49 2.4 10.7 1.0 HG A:SER65 2.4 15.4 1.0 O A:GLY61 2.4 10.3 1.0 OD1 A:ASP63 2.4 12.0 1.0 O A:HOH2094 2.4 11.4 1.0 OG A:SER65 2.5 12.8 1.0 O A:ASP49 2.5 9.7 1.0 HA A:ASP49 3.3 11.3 1.0 H A:SER65 3.3 15.2 1.0 H A:ASP63 3.4 13.1 1.0 CG A:ASP49 3.4 10.1 1.0 C A:ASP49 3.4 9.4 1.0 CG A:ASP63 3.5 12.3 1.0 CB A:SER65 3.6 12.9 1.0 C A:GLY61 3.6 10.1 1.0 HB3 A:SER65 3.6 15.5 1.0 CA A:ASP49 3.8 9.4 1.0 HB2 A:SER134 3.8 16.8 1.0 H A:ILE66 3.9 14.9 1.0 OD2 A:ASP63 4.0 14.0 1.0 N A:SER65 4.0 12.7 1.0 N A:ASP63 4.2 10.9 1.0 CB A:ASP49 4.2 9.1 1.0 OD2 A:ASP49 4.2 10.7 1.0 O A:HOH2122 4.2 12.8 1.0 HA3 A:GLY52 4.2 12.4 1.0 H A:GLY61 4.2 13.4 1.0 HA A:ALA62 4.3 11.6 1.0 CA A:SER65 4.3 12.9 1.0 N A:GLY61 4.3 11.2 1.0 HB2 A:SER65 4.3 15.5 1.0 CA A:GLY61 4.4 10.9 1.0 H A:GLY64 4.4 13.9 1.0 HA2 A:GLY61 4.4 13.1 1.0 H A:GLY52 4.5 11.3 1.0 N A:ILE66 4.5 12.4 1.0 HA A:ALA50 4.5 10.3 1.0 N A:ALA50 4.5 8.9 1.0 HB A:ILE66 4.5 14.4 1.0 O A:GLY52 4.6 10.6 1.0 OE2 A:GLU73 4.6 13.7 1.0 N A:ALA62 4.6 9.6 1.0 CB A:ASP63 4.7 12.2 1.0 N A:GLY64 4.7 11.6 1.0 OE1 A:GLU73 4.7 13.9 1.0 HB3 A:ASP49 4.7 10.9 1.0 CB A:SER134 4.8 14.0 1.0 C A:SER65 4.8 13.0 1.0 HB2 A:ASP49 4.8 10.9 1.0 CA A:ASP63 4.8 11.7 1.0 CA A:ALA62 4.8 9.6 1.0 H A:GLY60 4.9 15.6 1.0 C A:GLY60 4.9 11.9 1.0 O A:HIS48 4.9 14.5 1.0 HB3 A:ASP63 4.9 14.6 1.0 CA A:GLY52 4.9 10.3 1.0 CA A:ALA50 5.0 8.6 1.0 H A:SER134 5.0 17.4 1.0 C A:ASP63 5.0 11.7 1.0

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


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 I within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:6.5 occ:1.00 O A:SER171 2.4 6.4 1.0 OD1 A:ASP195 2.4 6.8 1.0 O A:THR190 2.4 7.7 1.0 O A:VAL193 2.4 7.6 1.0 OD2 A:ASP188 2.4 6.6 1.0 OG1 A:THR190 2.5 7.7 1.0 OG A:SER171 2.5 6.4 1.0 OD1 A:ASP188 2.7 6.9 1.0 CG A:ASP188 2.9 5.8 1.0 C A:THR190 3.2 7.7 1.0 CG A:ASP195 3.3 7.4 1.0 C A:SER171 3.4 6.2 1.0 HA A:SER171 3.4 6.9 1.0 CB A:THR190 3.5 8.1 1.0 H A:ASP195 3.5 8.4 1.0 CB A:SER171 3.6 6.2 1.0 C A:VAL193 3.6 7.2 1.0 HB2 A:GLN197 3.7 8.8 1.0 CA A:SER171 3.7 5.7 1.0 HB A:THR190 3.7 9.8 1.0 H A:VAL193 3.7 9.8 1.0 H A:THR190 3.7 9.1 1.0 OD2 A:ASP195 3.7 7.8 1.0 CA A:THR190 3.8 7.9 1.0 HA A:PRO191 3.9 10.2 1.0 HB A:VAL193 3.9 10.6 1.0 HB3 A:SER171 4.1 7.5 1.0 N A:ASP195 4.2 7.0 1.0 HG21 A:ILE172 4.2 8.7 1.0 HA A:PHE194 4.2 8.5 1.0 N A:PRO191 4.2 8.0 1.0 N A:THR190 4.2 7.6 1.0 HB2 A:SER171 4.3 7.5 1.0 H A:PHE198 4.4 7.2 1.0 N A:VAL193 4.4 8.2 1.0 CB A:ASP188 4.4 6.4 1.0 CA A:VAL193 4.5 8.1 1.0 CA A:PRO191 4.5 8.5 1.0 H A:GLN197 4.5 7.9 1.0 O A:ASP195 4.5 6.8 1.0 N A:ILE172 4.6 6.1 1.0 CB A:ASP195 4.6 7.0 1.0 O A:HOH2276 4.6 7.4 1.0 HA A:ILE172 4.6 8.2 1.0 HG23 A:ILE172 4.6 8.7 1.0 N A:PHE194 4.6 7.2 1.0 CB A:VAL193 4.6 8.8 1.0 CB A:GLN197 4.6 7.3 1.0 CA A:ASP195 4.7 6.8 1.0 HB2 A:ASP188 4.7 7.7 1.0 HA A:THR190 4.7 9.5 1.0 CA A:PHE194 4.8 7.1 1.0 HB3 A:ASP188 4.8 7.7 1.0 C A:ASP195 4.8 6.4 1.0 CG2 A:THR190 4.8 8.9 1.0 CG2 A:ILE172 4.8 7.3 1.0 HB2 A:PHE198 4.9 6.9 1.0 HB3 A:ASP195 4.9 8.4 1.0 HG13 A:VAL193 4.9 10.9 1.0 C A:PHE194 4.9 7.2 1.0 C A:PRO191 5.0 8.0 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