Iron in PDB 4a78: Cytochrome C Peroxidase M119W in Complex with Guiacol

All present enzymatic activity of Cytochrome C Peroxidase M119W in Complex with Guiacol:
1.11.1.5;

The structure of Cytochrome C Peroxidase M119W in Complex with Guiacol, PDB code: 4a78 was solved by E.J.Murphy, C.L.Metcalfe, E.L.Raven, P.C.E.Moody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.83 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.000, 75.350, 106.510, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 23.2

The binding sites of Iron atom in the Cytochrome C Peroxidase M119W in Complex with Guiacol (pdb code 4a78). 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 Cytochrome C Peroxidase M119W in Complex with Guiacol, PDB code: 4a78:

Iron binding site 1 out of 1 in the Cytochrome C Peroxidase M119W in Complex with Guiacol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome C Peroxidase M119W in Complex with Guiacol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1295 b:18.1 occ:1.00 FE A:HEM1295 0.0 18.1 1.0 NA A:HEM1295 2.1 17.3 1.0 ND A:HEM1295 2.1 15.4 1.0 NC A:HEM1295 2.1 16.0 1.0 NB A:HEM1295 2.1 16.8 1.0 NE2 A:HIS175 2.3 17.5 1.0 C1A A:HEM1295 3.1 15.1 1.0 C4D A:HEM1295 3.1 15.7 1.0 C1D A:HEM1295 3.1 15.2 1.0 C4C A:HEM1295 3.1 15.5 1.0 C4A A:HEM1295 3.1 16.4 1.0 CD2 A:HIS175 3.1 16.4 1.0 C4B A:HEM1295 3.1 15.4 1.0 C1C A:HEM1295 3.1 15.7 1.0 C1B A:HEM1295 3.2 15.6 1.0 CE1 A:HIS175 3.4 14.7 1.0 CHA A:HEM1295 3.4 14.3 1.0 CHD A:HEM1295 3.4 14.7 1.0 CHC A:HEM1295 3.5 15.0 1.0 CHB A:HEM1295 3.5 14.8 1.0 NE1 A:TRP51 4.0 11.8 1.0 O A:HOH2082 4.3 16.7 1.0 C2A A:HEM1295 4.3 17.1 1.0 C3A A:HEM1295 4.3 17.0 1.0 C3D A:HEM1295 4.3 13.9 1.0 C3C A:HEM1295 4.3 17.2 1.0 C2D A:HEM1295 4.3 14.3 1.0 CG A:HIS175 4.3 14.2 1.0 C2B A:HEM1295 4.4 16.5 1.0 C3B A:HEM1295 4.4 13.9 1.0 C2C A:HEM1295 4.4 15.7 1.0 ND1 A:HIS175 4.4 13.4 1.0 NE A:ARG48 4.5 27.8 1.0 CD1 A:TRP51 4.5 14.8 1.0 CH2 A:TRP191 4.9 15.9 1.0 NH2 A:ARG48 4.9 25.7 1.0

E.J.Murphy, C.L.Metcalfe, C.Nnamchi, P.C.E.Moody, E.L.Raven. Crystal Structure of Guaiacol and Phenol Bound to A Heme Peroxidase. Febs J. V. 279 1632 2012.
ISSN: ISSN 1742-464X
PubMed: 22093282
DOI: 10.1111/J.1742-4658.2011.08425.X