Arsenic in PDB 5ag1: Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) with Meso-Nitrated Heme

All present enzymatic activity of Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) with Meso-Nitrated Heme:
1.11.1.19;

The structure of Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) with Meso-Nitrated Heme, PDB code: 5ag1 was solved by E.Strittmatter, K.Piontek, D.A.Plattner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.57 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.000, 46.780, 148.150, 90.00, 100.53, 90.00
R / Rfree (%)	17.451 / 21.547

The structure of Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) with Meso-Nitrated Heme also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Arsenic atom in the Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) with Meso-Nitrated Heme (pdb code 5ag1). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) with Meso-Nitrated Heme, PDB code: 5ag1:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) with Meso-Nitrated Heme


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) with Meso-Nitrated Heme within 5.0Å range: probe atom residue distance (Å) B Occ A:As1449 b:27.7 occ:1.00 AS A:CAC1449 0.0 27.7 1.0 O2 A:CAC1449 1.7 25.7 1.0 O1 A:CAC1449 1.7 22.5 1.0 C1 A:CAC1449 2.0 24.0 1.0 C2 A:CAC1449 2.0 24.5 1.0 ND1 A:HIS287 4.0 13.7 1.0 O A:HOH2375 4.0 29.7 1.0 CA A:HIS287 4.1 13.8 1.0 N A:ALA288 4.2 15.9 1.0 O A:SER286 4.4 12.1 1.0 CB A:HIS287 4.6 13.6 1.0 CG A:HIS287 4.7 13.7 1.0 C A:HIS287 4.7 14.8 1.0 O A:HOH2187 4.8 21.7 1.0 CE1 A:HIS287 4.9 13.8 1.0 O A:HOH2397 5.0 17.4 1.0

Arsenic binding site 2 out of 2 in the Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) with Meso-Nitrated Heme


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) with Meso-Nitrated Heme within 5.0Å range: probe atom residue distance (Å) B Occ B:As1449 b:58.2 occ:1.00 AS B:CAC1449 0.0 58.2 1.0 O2 B:CAC1449 1.7 49.2 1.0 O1 B:CAC1449 1.7 48.0 1.0 C1 B:CAC1449 2.0 53.1 1.0 C2 B:CAC1449 2.0 50.6 1.0 ND1 B:HIS287 4.0 21.4 1.0 O B:HOH2313 4.2 33.4 1.0 CA B:HIS287 4.2 22.1 1.0 N B:ALA288 4.2 23.3 1.0 O B:SER286 4.5 20.7 1.0 CB B:HIS287 4.5 20.6 1.0 CG B:HIS287 4.6 20.3 1.0 O B:HOH2310 4.7 26.8 1.0 C B:HIS287 4.7 21.5 1.0 O B:ALA288 5.0 33.6 1.0 CE1 B:HIS287 5.0 20.4 1.0

E.Strittmatter, K.Piontek, D.A.Plattner. Crystallographic Trapping of A Covalently Modified Heme in A Dye-Decolorizing Peroxidase To Be Published.