Iron in PDB 1qgj: Arabidopsis Thaliana Peroxidase N

The structure of Arabidopsis Thaliana Peroxidase N, PDB code: 1qgj was solved by O.Mirza, L.Oestergaard, K.G.Welinder, A.Henriksen, M.Gajhede, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.989, 87.457, 91.371, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 20.5

The structure of Arabidopsis Thaliana Peroxidase N also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Iron atom in the Arabidopsis Thaliana Peroxidase N (pdb code 1qgj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Arabidopsis Thaliana Peroxidase N, PDB code: 1qgj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Arabidopsis Thaliana Peroxidase N


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Arabidopsis Thaliana Peroxidase N within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1350 b:4.2 occ:1.00 FE A:HEM1350 0.0 4.2 1.0 ND A:HEM1350 2.0 3.9 1.0 NB A:HEM1350 2.0 4.5 1.0 NC A:HEM1350 2.0 4.3 1.0 NA A:HEM1350 2.1 4.5 1.0 NE2 A:HIS165 2.2 3.6 1.0 O A:HOH2525 2.7 45.8 1.0 C1D A:HEM1350 3.0 3.9 1.0 C4B A:HEM1350 3.0 4.9 1.0 C4C A:HEM1350 3.1 4.1 1.0 C1B A:HEM1350 3.1 5.3 1.0 C1C A:HEM1350 3.1 4.1 1.0 C4D A:HEM1350 3.1 3.9 1.0 C4A A:HEM1350 3.1 5.1 1.0 CE1 A:HIS165 3.1 3.1 1.0 C1A A:HEM1350 3.1 4.4 1.0 CD2 A:HIS165 3.2 3.4 1.0 CHD A:HEM1350 3.4 4.4 1.0 CHC A:HEM1350 3.4 3.9 1.0 CHB A:HEM1350 3.4 5.1 1.0 CHA A:HEM1350 3.5 3.1 1.0 C2D A:HEM1350 4.2 3.5 1.0 C2B A:HEM1350 4.3 5.6 1.0 C3D A:HEM1350 4.3 3.4 1.0 C2C A:HEM1350 4.3 4.5 1.0 C3B A:HEM1350 4.3 5.1 1.0 ND1 A:HIS165 4.3 3.4 1.0 C3C A:HEM1350 4.3 4.2 1.0 CG A:HIS165 4.3 2.8 1.0 C3A A:HEM1350 4.4 4.5 1.0 C2A A:HEM1350 4.4 4.5 1.0 NE A:ARG38 4.5 5.8 1.0 CE1 A:PHE41 4.6 6.6 1.0 CD1 A:PHE41 4.8 7.0 1.0 CD A:ARG38 4.9 5.1 1.0

Iron binding site 2 out of 2 in the Arabidopsis Thaliana Peroxidase N


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Arabidopsis Thaliana Peroxidase N within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1350 b:3.9 occ:1.00 FE B:HEM1350 0.0 3.9 1.0 NC B:HEM1350 2.0 4.4 1.0 ND B:HEM1350 2.0 5.0 1.0 NB B:HEM1350 2.0 4.5 1.0 NA B:HEM1350 2.0 4.6 1.0 NE2 B:HIS165 2.2 4.9 1.0 O B:HOH2530 2.9 28.5 1.0 C1C B:HEM1350 3.1 4.0 1.0 C4D B:HEM1350 3.1 5.2 1.0 C1D B:HEM1350 3.1 5.0 1.0 C4B B:HEM1350 3.1 5.0 1.0 C4C B:HEM1350 3.1 4.2 1.0 C1A B:HEM1350 3.1 4.5 1.0 C1B B:HEM1350 3.1 4.9 1.0 C4A B:HEM1350 3.1 4.8 1.0 CE1 B:HIS165 3.1 4.4 1.0 CD2 B:HIS165 3.2 4.7 1.0 CHC B:HEM1350 3.4 4.0 1.0 CHD B:HEM1350 3.4 4.9 1.0 CHA B:HEM1350 3.4 4.1 1.0 CHB B:HEM1350 3.4 4.6 1.0 C2D B:HEM1350 4.3 4.8 1.0 C3D B:HEM1350 4.3 4.7 1.0 C2C B:HEM1350 4.3 4.2 1.0 ND1 B:HIS165 4.3 4.6 1.0 C3C B:HEM1350 4.3 4.1 1.0 C2B B:HEM1350 4.3 4.9 1.0 C3B B:HEM1350 4.3 5.3 1.0 CG B:HIS165 4.3 3.9 1.0 C2A B:HEM1350 4.3 4.7 1.0 C3A B:HEM1350 4.3 5.0 1.0 NE B:ARG38 4.6 5.6 1.0 CE1 B:PHE41 4.7 4.5 1.0 CD1 B:PHE41 4.8 5.0 1.0 CD B:ARG38 4.9 4.5 1.0 CG B:ARG38 5.0 5.0 1.0

O.Mirza, A.Henriksen, L.Ostergaard, K.G.Welinder, M.Gajhede. Arabidopsis Thaliana Peroxidase N: Structure of A Novel Neutral Peroxidase. Acta Crystallogr.,Sect.D V. 56 372 2000.
ISSN: ISSN 0907-4449
PubMed: 10713531
DOI: 10.1107/S0907444999016340