Iron in PDB 1w4w: Ferric Horseradish Peroxidase C1A in Complex with Formate

All present enzymatic activity of Ferric Horseradish Peroxidase C1A in Complex with Formate:
1.11.1.7;

The structure of Ferric Horseradish Peroxidase C1A in Complex with Formate, PDB code: 1w4w was solved by G.H.Carlsson, P.Nicholls, D.Svistunenko, G.I.Berglund, J.Hajdu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.87 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.330, 68.302, 117.048, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 21.5

The structure of Ferric Horseradish Peroxidase C1A in Complex with Formate also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the Ferric Horseradish Peroxidase C1A in Complex with Formate (pdb code 1w4w). 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 Ferric Horseradish Peroxidase C1A in Complex with Formate, PDB code: 1w4w:

Iron binding site 1 out of 1 in the Ferric Horseradish Peroxidase C1A in Complex with Formate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferric Horseradish Peroxidase C1A in Complex with Formate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1307 b:8.7 occ:1.00 FE A:HEM1307 0.0 8.7 1.0 ND A:HEM1307 2.0 8.9 1.0 NA A:HEM1307 2.0 9.2 1.0 NB A:HEM1307 2.0 7.0 1.0 NC A:HEM1307 2.0 7.8 1.0 NE2 A:HIS170 2.1 9.0 1.0 O1 A:FMT1310 2.3 13.5 1.0 C1D A:HEM1307 3.0 8.7 1.0 C4D A:HEM1307 3.0 10.2 1.0 C4A A:HEM1307 3.1 9.2 1.0 CE1 A:HIS170 3.1 8.1 1.0 C1A A:HEM1307 3.1 9.7 1.0 C4C A:HEM1307 3.1 7.9 1.0 C1B A:HEM1307 3.1 7.5 1.0 C1C A:HEM1307 3.1 6.8 1.0 C A:FMT1310 3.1 15.2 1.0 C4B A:HEM1307 3.1 7.8 1.0 CD2 A:HIS170 3.1 9.1 1.0 CHD A:HEM1307 3.4 8.0 1.0 CHA A:HEM1307 3.4 9.3 1.0 CHB A:HEM1307 3.4 7.4 1.0 CHC A:HEM1307 3.4 7.3 1.0 ND1 A:HIS170 4.2 8.7 1.0 CG A:HIS170 4.2 8.7 1.0 C2D A:HEM1307 4.2 8.4 1.0 C3D A:HEM1307 4.3 9.5 1.0 C3A A:HEM1307 4.3 9.1 1.0 C2A A:HEM1307 4.3 9.1 1.0 O2 A:FMT1310 4.3 15.2 1.0 C2B A:HEM1307 4.3 6.7 1.0 C3C A:HEM1307 4.3 8.5 1.0 C2C A:HEM1307 4.3 8.9 1.0 C3B A:HEM1307 4.3 7.4 1.0 NE A:ARG38 4.6 10.0 1.0 CE2 A:PHE41 4.6 9.2 1.0 CZ A:PHE221 4.8 10.0 1.0 CG A:ARG38 4.9 10.2 1.0 CD2 A:PHE41 5.0 8.0 1.0 CD A:ARG38 5.0 10.3 1.0

G.H.Carlsson, P.Nicholls, D.Svistunenko, G.I.Berglund, J.Hajdu. Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide Biochemistry V. 44 635 2005.
ISSN: ISSN 0006-2960
PubMed: 15641789
DOI: 10.1021/BI0483211