Iron in PDB 2atj: Recombinant Horseradish Peroxidase Complex with Benzhydroxamic Acid

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

The structure of Recombinant Horseradish Peroxidase Complex with Benzhydroxamic Acid, PDB code: 2atj was solved by A.Henriksen, D.J.Schuller, M.Gajhede, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.920, 62.250, 77.990, 90.00, 104.36, 90.00
R / Rfree (%)	17.6 / 19.8

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

Calcium

(Ca)

4 atoms

The binding sites of Iron atom in the Recombinant Horseradish Peroxidase Complex with Benzhydroxamic Acid (pdb code 2atj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Recombinant Horseradish Peroxidase Complex with Benzhydroxamic Acid, PDB code: 2atj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Recombinant Horseradish Peroxidase Complex with Benzhydroxamic 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 Complex with Benzhydroxamic 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 NA A:HEM350 2.0 7.2 1.0 NC A:HEM350 2.0 4.9 1.0 NB A:HEM350 2.0 6.5 1.0 ND A:HEM350 2.0 8.2 1.0 NE2 A:HIS170 2.2 5.7 1.0 O A:HOH999 2.6 6.9 1.0 C1C A:HEM350 3.0 5.4 1.0 C4B A:HEM350 3.0 5.6 1.0 C4A A:HEM350 3.1 8.6 1.0 C1A A:HEM350 3.1 6.8 1.0 C1B A:HEM350 3.1 6.4 1.0 C4C A:HEM350 3.1 6.0 1.0 C4D A:HEM350 3.1 7.2 1.0 C1D A:HEM350 3.1 5.9 1.0 CE1 A:HIS170 3.2 5.5 1.0 CD2 A:HIS170 3.2 5.4 1.0 CHC A:HEM350 3.4 4.5 1.0 CHB A:HEM350 3.4 7.2 1.0 CHA A:HEM350 3.5 3.8 1.0 CHD A:HEM350 3.5 3.5 1.0 C2C A:HEM350 4.3 6.6 1.0 C2A A:HEM350 4.3 6.8 1.0 C2B A:HEM350 4.3 7.1 1.0 C3A A:HEM350 4.3 6.3 1.0 C3B A:HEM350 4.3 6.6 1.0 CG A:HIS170 4.3 6.7 1.0 C3D A:HEM350 4.3 7.5 1.0 C3C A:HEM350 4.3 7.1 1.0 ND1 A:HIS170 4.3 7.8 1.0 C2D A:HEM350 4.3 7.0 1.0 O1 A:BHO353 4.4 8.2 1.0 NE A:ARG38 4.7 7.5 1.0 CE2 A:PHE41 4.8 8.4 1.0 CZ A:PHE221 4.8 8.8 1.0 O2 A:BHO353 4.9 13.8 1.0

Iron binding site 2 out of 2 in the Recombinant Horseradish Peroxidase Complex with Benzhydroxamic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Recombinant Horseradish Peroxidase Complex with Benzhydroxamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe350 b:8.7 occ:1.00 FE B:HEM350 0.0 8.7 1.0 NA B:HEM350 2.0 7.2 1.0 NC B:HEM350 2.0 4.9 1.0 NB B:HEM350 2.0 6.5 1.0 ND B:HEM350 2.0 8.2 1.0 NE2 B:HIS170 2.2 5.7 1.0 O B:HOH999 2.6 6.9 1.0 C1C B:HEM350 3.0 5.4 1.0 C4B B:HEM350 3.0 5.6 1.0 C4A B:HEM350 3.1 8.6 1.0 C1A B:HEM350 3.1 6.8 1.0 C1B B:HEM350 3.1 6.4 1.0 C4C B:HEM350 3.1 6.0 1.0 C4D B:HEM350 3.1 7.2 1.0 C1D B:HEM350 3.1 5.9 1.0 CE1 B:HIS170 3.2 5.5 1.0 CD2 B:HIS170 3.2 5.4 1.0 CHC B:HEM350 3.4 4.5 1.0 CHB B:HEM350 3.4 7.2 1.0 CHA B:HEM350 3.5 3.8 1.0 CHD B:HEM350 3.5 3.5 1.0 C2C B:HEM350 4.3 6.6 1.0 C2A B:HEM350 4.3 6.8 1.0 C2B B:HEM350 4.3 7.1 1.0 C3A B:HEM350 4.3 6.3 1.0 C3B B:HEM350 4.3 6.6 1.0 CG B:HIS170 4.3 6.7 1.0 C3D B:HEM350 4.3 7.5 1.0 C3C B:HEM350 4.3 7.1 1.0 C2D B:HEM350 4.3 7.0 1.0 ND1 B:HIS170 4.3 7.8 1.0 O1 B:BHO353 4.4 8.2 1.0 NE B:ARG38 4.7 7.5 1.0 CE2 B:PHE41 4.8 8.4 1.0 CZ B:PHE221 4.9 8.8 1.0 O2 B:BHO353 4.9 13.8 1.0

A.Henriksen, D.J.Schuller, K.Meno, K.G.Welinder, A.T.Smith, M.Gajhede. Structural Interactions Between Horseradish Peroxidase C and the Substrate Benzhydroxamic Acid Determined By X-Ray Crystallography. Biochemistry V. 37 8054 1998.
ISSN: ISSN 0006-2960
PubMed: 9609699
DOI: 10.1021/BI980234J