Iron in PDB 6atj: Recombinant Horseradish Peroxidase C Complex with Ferulic Acid

All present enzymatic activity of Recombinant Horseradish Peroxidase C Complex with Ferulic Acid:
1.11.1.7;

The structure of Recombinant Horseradish Peroxidase C Complex with Ferulic Acid, PDB code: 6atj was solved by A.Henriksen, A.T.Smith, M.Gajhede, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.297, 67.272, 117.646, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.9

The structure of Recombinant Horseradish Peroxidase C Complex with Ferulic Acid also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the Recombinant Horseradish Peroxidase C Complex with Ferulic Acid (pdb code 6atj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Recombinant Horseradish Peroxidase C Complex with Ferulic Acid, PDB code: 6atj:

Iron binding site 1 out of 1 in the Recombinant Horseradish Peroxidase C Complex with Ferulic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Recombinant Horseradish Peroxidase C Complex with Ferulic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe350 b:8.7 occ:1.00 FE A:HEM350 0.0 8.7 1.0 ND A:HEM350 2.0 7.8 1.0 NC A:HEM350 2.0 6.2 1.0 NB A:HEM350 2.0 7.2 1.0 NA A:HEM350 2.0 7.2 1.0 NE2 A:HIS170 2.1 8.3 1.0 O1 A:FER601 3.0 14.9 0.3 O A:HOH1401 3.0 21.2 0.6 C1C A:HEM350 3.0 7.0 1.0 C4D A:HEM350 3.0 8.1 1.0 CD2 A:HIS170 3.1 7.6 1.0 C1D A:HEM350 3.1 8.2 1.0 CE1 A:HIS170 3.1 7.8 1.0 C4B A:HEM350 3.1 8.2 1.0 C1A A:HEM350 3.1 7.9 1.0 C4C A:HEM350 3.1 6.3 1.0 C4A A:HEM350 3.1 9.5 1.0 C1B A:HEM350 3.1 8.1 1.0 CHC A:HEM350 3.4 6.9 1.0 CHA A:HEM350 3.4 6.1 1.0 CHD A:HEM350 3.5 6.5 1.0 CHB A:HEM350 3.5 9.7 1.0 C9 A:FER601 3.9 15.2 0.3 CG A:HIS170 4.2 7.2 1.0 ND1 A:HIS170 4.2 9.0 1.0 C2D A:HEM350 4.3 8.2 1.0 C3D A:HEM350 4.3 6.3 1.0 C3B A:HEM350 4.3 7.5 1.0 C2C A:HEM350 4.3 5.5 1.0 C2B A:HEM350 4.3 9.1 1.0 C3C A:HEM350 4.3 4.8 1.0 C2A A:HEM350 4.3 5.9 1.0 C3A A:HEM350 4.3 9.6 1.0 O2 A:FER601 4.4 15.4 0.3 NE A:ARG38 4.6 7.0 1.0 CE2 A:PHE41 4.7 10.5 1.0 CZ A:PHE221 4.8 8.7 1.0 C8 A:FER601 4.8 15.2 0.3 CD A:ARG38 4.9 8.6 1.0 CG A:ARG38 4.9 8.0 1.0 CD2 A:PHE41 5.0 8.8 1.0

A.Henriksen, A.T.Smith, M.Gajhede. The Structures of the Horseradish Peroxidase C-Ferulic Acid Complex and the Ternary Complex with Cyanide Suggest How Peroxidases Oxidize Small Phenolic Substrates. J.Biol.Chem. V. 274 35005 1999.
ISSN: ISSN 0021-9258
PubMed: 10574977
DOI: 10.1074/JBC.274.49.35005