Iron in PDB 5ejt: Thermally Annealed Ferryl Cytochrome C Peroxidase Crystal Structure

All present enzymatic activity of Thermally Annealed Ferryl Cytochrome C Peroxidase Crystal Structure:
1.11.1.5;

The structure of Thermally Annealed Ferryl Cytochrome C Peroxidase Crystal Structure, PDB code: 5ejt was solved by T.Doukov, S.M.Soltis, E.L.Baxter, A.Cohen, J.Song, S.Mcphillips, T.L.Poulos, Y.T.Meharenna, G.Chreifi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.35 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	107.330, 75.190, 51.150, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 17.7

The binding sites of Iron atom in the Thermally Annealed Ferryl Cytochrome C Peroxidase Crystal Structure (pdb code 5ejt). 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 Thermally Annealed Ferryl Cytochrome C Peroxidase Crystal Structure, PDB code: 5ejt:

Iron binding site 1 out of 1 in the Thermally Annealed Ferryl Cytochrome C Peroxidase Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Thermally Annealed Ferryl Cytochrome C Peroxidase Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:15.3 occ:1.00 FE A:HEM301 0.0 15.3 1.0 NC A:HEM301 2.0 12.5 1.0 NA A:HEM301 2.0 13.2 1.0 NE2 A:HIS175 2.1 16.6 1.0 NB A:HEM301 2.1 15.1 1.0 ND A:HEM301 2.1 14.5 1.0 O A:HOH557 2.2 41.6 1.0 C4C A:HEM301 3.0 14.8 1.0 C1A A:HEM301 3.1 14.2 1.0 C1D A:HEM301 3.1 13.2 1.0 C1C A:HEM301 3.1 12.8 1.0 CD2 A:HIS175 3.1 17.3 1.0 CE1 A:HIS175 3.1 16.3 1.0 C4A A:HEM301 3.1 15.2 1.0 C4D A:HEM301 3.1 14.8 1.0 C4B A:HEM301 3.1 15.2 1.0 C1B A:HEM301 3.1 14.2 1.0 CHD A:HEM301 3.4 13.9 1.0 CHC A:HEM301 3.4 15.4 1.0 CHA A:HEM301 3.4 15.5 1.0 CHB A:HEM301 3.5 15.2 1.0 NE1 A:TRP51 4.1 15.7 1.0 O A:HOH545 4.1 23.0 1.0 CG A:HIS175 4.2 15.7 1.0 ND1 A:HIS175 4.2 16.9 1.0 NE A:ARG48 4.3 22.2 1.0 C2A A:HEM301 4.3 14.3 1.0 C3C A:HEM301 4.3 15.1 1.0 C2C A:HEM301 4.3 13.0 1.0 C3A A:HEM301 4.3 13.8 1.0 C2D A:HEM301 4.3 14.4 1.0 C3D A:HEM301 4.3 14.2 1.0 C2B A:HEM301 4.3 14.7 1.0 C3B A:HEM301 4.3 16.4 1.0 CD1 A:TRP51 4.6 16.4 1.0 NH2 A:ARG48 4.7 17.7 1.0 CZ A:ARG48 5.0 29.6 1.0

G.Chreifi, E.L.Baxter, T.Doukov, A.E.Cohen, S.E.Mcphillips, J.Song, Y.T.Meharenna, S.M.Soltis, T.L.Poulos. Crystal Structure of the Pristine Peroxidase Ferryl Center and Its Relevance to Proton-Coupled Electron Transfer. Proc.Natl.Acad.Sci.Usa V. 113 1226 2016.
ISSN: ESSN 1091-6490
PubMed: 26787871
DOI: 10.1073/PNAS.1521664113