Iron in PDB 5ejx: X-Ray Free Electron Laser Structure of Cytochrome C Peroxidase

All present enzymatic activity of X-Ray Free Electron Laser Structure of Cytochrome C Peroxidase:
1.11.1.5;

The structure of X-Ray Free Electron Laser Structure of Cytochrome C Peroxidase, PDB code: 5ejx 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)	19.69 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	107.470, 74.990, 51.250, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 26.1

The binding sites of Iron atom in the X-Ray Free Electron Laser Structure of Cytochrome C Peroxidase (pdb code 5ejx). 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 X-Ray Free Electron Laser Structure of Cytochrome C Peroxidase, PDB code: 5ejx:

Iron binding site 1 out of 1 in the X-Ray Free Electron Laser Structure of Cytochrome C Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Free Electron Laser Structure of Cytochrome C Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:2.0 occ:1.00 FE A:HEM301 0.0 2.0 1.0 O A:HOH431 1.7 2.0 1.0 ND A:HEM301 2.0 2.3 1.0 NA A:HEM301 2.1 2.4 1.0 NB A:HEM301 2.1 2.0 1.0 NC A:HEM301 2.1 2.0 1.0 NE2 A:HIS175 2.1 2.0 1.0 C4D A:HEM301 3.0 2.4 1.0 C1D A:HEM301 3.0 2.2 1.0 C4A A:HEM301 3.0 2.5 1.0 C4B A:HEM301 3.0 2.0 1.0 C1A A:HEM301 3.0 2.5 1.0 C1C A:HEM301 3.1 2.0 1.0 C1B A:HEM301 3.1 2.2 1.0 CE1 A:HIS175 3.1 2.0 1.0 C4C A:HEM301 3.1 2.0 1.0 CD2 A:HIS175 3.1 2.0 1.0 CHD A:HEM301 3.4 2.0 1.0 CHA A:HEM301 3.4 2.5 1.0 CHC A:HEM301 3.5 2.0 1.0 CHB A:HEM301 3.5 2.3 1.0 NE1 A:TRP51 3.9 2.0 1.0 NE A:ARG48 4.0 2.0 1.0 O A:HOH472 4.0 3.9 1.0 C3A A:HEM301 4.2 2.6 1.0 ND1 A:HIS175 4.2 2.0 1.0 C2A A:HEM301 4.2 2.6 1.0 C3D A:HEM301 4.2 2.4 1.0 C2D A:HEM301 4.3 2.3 1.0 CG A:HIS175 4.3 2.0 1.0 C2C A:HEM301 4.3 2.0 1.0 C2B A:HEM301 4.3 2.1 1.0 C3C A:HEM301 4.3 2.0 1.0 C3B A:HEM301 4.3 2.2 1.0 NH2 A:ARG48 4.4 2.1 1.0 CD1 A:TRP51 4.5 2.0 1.0 CZ A:ARG48 4.7 2.1 1.0 CD A:ARG48 4.9 2.0 1.0 CE2 A:TRP51 4.9 2.0 1.0 CG A:ARG48 4.9 2.0 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