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

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

The structure of Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form II, PDB code: 4bll 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)	44.477 / 1.10
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	62.900, 62.900, 99.170, 90.00, 90.00, 90.00
R / Rfree (%)	12.32 / 13.56

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

Iron	(Fe)	1 atom
Zinc	(Zn)	3 atoms

The binding sites of Calcium atom in the Crystal Structure of Fungal Versatile Peroxidase I From Pleurotus Ostreatus - Crystal Form II (pdb code 4bll). 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 II, PDB code: 4bll:
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 II


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 II within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:6.1 occ:1.00 O A:HOH2094 2.3 7.0 1.0 OD1 A:ASP49 2.3 7.1 1.0 OG A:SER65 2.4 7.1 1.0 O A:GLY61 2.4 6.7 1.0 OD1 A:ASP63 2.4 6.7 1.0 O A:HOH2086 2.5 7.3 1.0 O A:ASP49 2.5 6.5 1.0 HA A:ASP49 3.2 7.3 1.0 H A:SER65 3.3 8.5 1.0 C A:ASP49 3.3 6.1 1.0 CG A:ASP49 3.4 6.5 1.0 H A:ASP63 3.4 8.0 1.0 CG A:ASP63 3.5 6.7 1.0 CB A:SER65 3.6 7.1 1.0 HB3 A:SER65 3.6 8.6 1.0 C A:GLY61 3.6 6.8 1.0 CA A:ASP49 3.7 6.1 1.0 H A:ILE66 3.9 8.9 1.0 N A:SER65 4.0 7.1 1.0 HB2 A:SER134 4.0 10.0 1.0 OD2 A:ASP63 4.0 7.9 1.0 O A:HOH2111 4.1 7.5 1.0 H A:GLY61 4.1 8.4 1.0 CB A:ASP49 4.2 6.6 1.0 HA3 A:GLY52 4.2 9.2 1.0 OD2 A:ASP49 4.2 7.5 1.0 N A:ASP63 4.2 6.7 1.0 HB2 A:SER65 4.3 8.6 1.0 CA A:SER65 4.3 7.0 1.0 H A:GLY64 4.3 8.1 1.0 N A:GLY61 4.3 7.0 1.0 CA A:GLY61 4.4 7.1 1.0 HA A:ALA62 4.4 8.1 1.0 HA2 A:GLY61 4.4 8.6 1.0 H A:GLY52 4.4 9.1 1.0 HA A:ALA50 4.4 7.9 1.0 O A:GLY52 4.5 7.2 1.0 N A:ALA50 4.5 5.9 1.0 N A:ILE66 4.5 7.4 1.0 HB A:ILE66 4.6 9.2 1.0 OE2 A:GLU73 4.6 8.6 1.0 N A:GLY64 4.6 6.7 1.0 N A:ALA62 4.7 6.7 1.0 CB A:ASP63 4.7 7.6 1.0 H A:GLY60 4.7 9.1 1.0 HB3 A:ASP49 4.7 7.9 1.0 OE1 A:GLU73 4.8 9.2 1.0 C A:SER65 4.8 7.4 1.0 HB2 A:ASP49 4.8 7.9 1.0 CA A:ASP63 4.8 7.5 1.0 O A:HIS48 4.9 8.5 1.0 CA A:GLY52 4.9 7.6 1.0 CA A:ALA50 4.9 6.6 1.0 CA A:ALA62 4.9 6.8 1.0 C A:GLY60 4.9 7.6 1.0 CB A:SER134 5.0 8.3 1.0 H A:SER134 5.0 9.4 1.0 C A:ASP63 5.0 7.2 1.0 HB3 A:ASP63 5.0 9.1 1.0

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


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 II within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:6.3 occ:1.00 O A:SER171 2.4 6.7 1.0 O A:THR190 2.4 7.3 1.0 O A:VAL193 2.4 7.0 1.0 OD2 A:ASP188 2.4 7.2 1.0 OD1 A:ASP195 2.4 7.5 1.0 OG A:SER171 2.5 6.7 1.0 OG1 A:THR190 2.5 7.9 1.0 OD1 A:ASP188 2.7 7.5 1.0 CG A:ASP188 2.9 7.3 1.0 C A:THR190 3.3 7.6 1.0 C A:SER171 3.3 6.0 1.0 CG A:ASP195 3.4 7.4 1.0 HA A:SER171 3.4 7.4 1.0 H A:ASP195 3.5 8.8 1.0 CB A:THR190 3.5 8.1 1.0 CB A:SER171 3.6 6.3 1.0 C A:VAL193 3.6 6.9 1.0 HB2 A:GLN197 3.6 12.3 1.0 CA A:SER171 3.7 6.1 1.0 HB A:THR190 3.7 9.8 1.0 H A:VAL193 3.7 8.5 1.0 H A:THR190 3.7 9.4 1.0 OD2 A:ASP195 3.8 8.7 1.0 HB A:VAL193 3.8 10.2 1.0 CA A:THR190 3.9 7.7 1.0 HA A:PRO191 3.9 8.9 1.0 HB3 A:SER171 4.1 7.5 1.0 HG21 A:ILE172 4.2 8.7 1.0 N A:ASP195 4.2 7.3 1.0 HA A:PHE194 4.2 8.1 1.0 N A:THR190 4.2 7.8 1.0 N A:PRO191 4.2 7.7 1.0 HB2 A:SER171 4.3 7.5 1.0 H A:PHE198 4.4 9.3 1.0 N A:VAL193 4.4 7.1 1.0 CA A:VAL193 4.4 7.3 1.0 CB A:ASP188 4.4 6.9 1.0 CA A:PRO191 4.5 7.4 1.0 H A:GLN197 4.5 10.5 1.0 O A:ASP195 4.5 7.7 1.0 N A:ILE172 4.6 6.2 1.0 HG23 A:ILE172 4.6 8.7 1.0 CB A:VAL193 4.6 8.5 1.0 HA A:ILE172 4.6 7.8 1.0 O A:HOH2246 4.6 8.1 1.0 CB A:ASP195 4.6 7.5 1.0 CB A:GLN197 4.6 10.2 1.0 N A:PHE194 4.6 6.6 1.0 HB2 A:ASP188 4.7 8.3 1.0 CA A:ASP195 4.8 7.4 1.0 HA A:THR190 4.8 9.2 1.0 CA A:PHE194 4.8 6.7 1.0 HB3 A:ASP188 4.8 8.3 1.0 CG2 A:ILE172 4.8 7.3 1.0 HG13 A:VAL193 4.8 10.3 1.0 C A:ASP195 4.8 7.2 1.0 CG2 A:THR190 4.8 9.0 1.0 HB2 A:PHE198 4.9 9.1 1.0 HB3 A:ASP195 5.0 9.1 1.0 HB3 A:GLN197 5.0 12.3 1.0 C A:PRO191 5.0 7.0 1.0 C A:PHE194 5.0 6.9 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