Iron in PDB 5ag0: Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) Crystallized at pH 6.5

All present enzymatic activity of Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) Crystallized at pH 6.5:
1.11.1.19;

The structure of Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) Crystallized at pH 6.5, PDB code: 5ag0 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)	47.51 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.840, 46.570, 147.630, 90.00, 100.49, 90.00
R / Rfree (%)	18.737 / 22.225

The structure of Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) Crystallized at pH 6.5 also contains other interesting chemical elements:

Arsenic

(As)

2 atoms

The binding sites of Iron atom in the Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) Crystallized at pH 6.5 (pdb code 5ag0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) Crystallized at pH 6.5, PDB code: 5ag0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) Crystallized at pH 6.5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) Crystallized at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1449 b:6.0 occ:1.00 FE A:HEM1449 0.0 6.0 1.0 ND A:HEM1449 1.9 6.0 1.0 NA A:HEM1449 2.0 6.0 1.0 O2 A:FMT1456 2.0 9.1 1.0 NC A:HEM1449 2.1 6.1 1.0 NB A:HEM1449 2.1 6.2 1.0 NE2 A:HIS304 2.1 6.1 1.0 C1D A:HEM1449 2.9 6.3 1.0 C4D A:HEM1449 2.9 6.0 1.0 C1A A:HEM1449 3.0 6.2 1.0 C4A A:HEM1449 3.0 6.1 1.0 C4B A:HEM1449 3.1 6.1 1.0 C4C A:HEM1449 3.1 6.2 1.0 C1B A:HEM1449 3.1 6.3 1.0 CE1 A:HIS304 3.1 5.8 1.0 C1C A:HEM1449 3.1 6.1 1.0 C A:FMT1456 3.1 9.3 1.0 CD2 A:HIS304 3.1 6.0 1.0 CHA A:HEM1449 3.4 5.9 1.0 CHD A:HEM1449 3.4 6.1 1.0 CHB A:HEM1449 3.4 6.3 1.0 CHC A:HEM1449 3.5 6.0 1.0 C2D A:HEM1449 4.2 6.1 1.0 C3D A:HEM1449 4.2 6.0 1.0 C2A A:HEM1449 4.2 6.3 1.0 O1 A:FMT1456 4.2 11.9 1.0 C3A A:HEM1449 4.2 6.2 1.0 NH1 A:ARG332 4.2 7.2 1.0 ND1 A:HIS304 4.2 6.0 1.0 C3C A:HEM1449 4.3 6.1 1.0 CG A:HIS304 4.3 5.8 1.0 C2C A:HEM1449 4.3 6.2 1.0 C2B A:HEM1449 4.3 6.1 1.0 C3B A:HEM1449 4.3 6.1 1.0 CD A:ARG332 4.8 7.2 1.0

Iron binding site 2 out of 2 in the Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) Crystallized at pH 6.5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dyp-Type Peroxidase of Auricularia Auricula-Judae (Aaudypi) Crystallized at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1449 b:12.7 occ:1.00 FE B:HEM1449 0.0 12.7 1.0 ND B:HEM1449 1.9 12.6 1.0 NA B:HEM1449 2.0 12.8 1.0 NC B:HEM1449 2.1 12.5 1.0 NB B:HEM1449 2.1 12.8 1.0 NE2 B:HIS304 2.1 13.0 1.0 O2 B:FMT1460 2.2 16.9 1.0 C1D B:HEM1449 2.9 12.2 1.0 C4D B:HEM1449 2.9 12.0 1.0 C1A B:HEM1449 3.0 13.1 1.0 C4A B:HEM1449 3.0 13.1 1.0 C1B B:HEM1449 3.1 13.1 1.0 C4C B:HEM1449 3.1 11.8 1.0 C4B B:HEM1449 3.1 12.1 1.0 CD2 B:HIS304 3.1 14.0 1.0 C1C B:HEM1449 3.1 11.6 1.0 C B:FMT1460 3.1 16.2 1.0 CE1 B:HIS304 3.1 13.0 1.0 CHD B:HEM1449 3.4 11.9 1.0 CHA B:HEM1449 3.4 12.6 1.0 CHB B:HEM1449 3.4 13.0 1.0 CHC B:HEM1449 3.5 11.9 1.0 NH1 B:ARG332 4.1 14.6 1.0 C2D B:HEM1449 4.2 12.5 1.0 C3D B:HEM1449 4.2 12.2 1.0 C2A B:HEM1449 4.2 13.5 1.0 C3A B:HEM1449 4.2 13.3 1.0 ND1 B:HIS304 4.2 14.0 1.0 CG B:HIS304 4.3 13.8 1.0 O1 B:FMT1460 4.3 17.2 1.0 C3C B:HEM1449 4.3 11.3 1.0 C2C B:HEM1449 4.3 11.1 1.0 C2B B:HEM1449 4.3 12.9 1.0 C3B B:HEM1449 4.3 12.4 1.0 CD B:ARG332 4.7 14.4 1.0

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