Iron in PDB 4ejx: Structure of Ceruloplasmin-Myeloperoxidase Complex

All present enzymatic activity of Structure of Ceruloplasmin-Myeloperoxidase Complex:
1.11.2.2; 1.16.3.1;

The structure of Structure of Ceruloplasmin-Myeloperoxidase Complex, PDB code: 4ejx was solved by V.R.Samygina, A.V.Sokolov, G.Bourenkov, V.B.Vasilyev, H.Bartunik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 4.69
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.249, 106.249, 834.619, 90.00, 90.00, 120.00
R / Rfree (%)	36.6 / 40.1

The structure of Structure of Ceruloplasmin-Myeloperoxidase Complex also contains other interesting chemical elements:

Copper

(Cu)

7 atoms

The binding sites of Iron atom in the Structure of Ceruloplasmin-Myeloperoxidase Complex (pdb code 4ejx). 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 Structure of Ceruloplasmin-Myeloperoxidase Complex, PDB code: 4ejx:

Iron binding site 1 out of 1 in the Structure of Ceruloplasmin-Myeloperoxidase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Ceruloplasmin-Myeloperoxidase Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:20.0 occ:1.00 FE D:HEM601 0.0 20.0 1.0 ND D:HEM601 2.1 20.0 1.0 NB D:HEM601 2.1 20.0 1.0 NC D:HEM601 2.1 20.0 1.0 NA D:HEM601 2.1 20.0 1.0 NE2 D:HIS336 2.4 20.0 1.0 C4D D:HEM601 3.0 20.0 1.0 C4B D:HEM601 3.1 20.0 1.0 C1B D:HEM601 3.1 20.0 1.0 C1D D:HEM601 3.1 20.0 1.0 C1C D:HEM601 3.1 20.0 1.0 C1A D:HEM601 3.1 20.0 1.0 C4C D:HEM601 3.1 20.0 1.0 C4A D:HEM601 3.1 20.0 1.0 CD2 D:HIS336 3.3 20.0 1.0 CE1 D:HIS336 3.3 20.0 1.0 CHC D:HEM601 3.4 20.0 1.0 CHA D:HEM601 3.4 20.0 1.0 CHD D:HEM601 3.4 20.0 1.0 CHB D:HEM601 3.5 20.0 1.0 C3A D:HEM601 4.3 20.0 1.0 C2A D:HEM601 4.3 20.0 1.0 C3D D:HEM601 4.3 20.0 1.0 C3B D:HEM601 4.3 20.0 1.0 C2D D:HEM601 4.3 20.0 1.0 C3C D:HEM601 4.4 20.0 1.0 C2B D:HEM601 4.4 20.0 1.0 C2C D:HEM601 4.4 20.0 1.0 ND1 D:HIS336 4.4 20.0 1.0 CG D:HIS336 4.5 20.0 1.0 NE2 B:GLN91 4.7 20.0 1.0 CD2 D:LEU417 4.8 20.0 1.0

V.R.Samygina, A.V.Sokolov, G.Bourenkov, M.V.Petoukhov, M.O.Pulina, E.T.Zakharova, V.B.Vasilyev, H.Bartunik, D.I.Svergun. Ceruloplasmin: Macromolecular Assemblies with Iron-Containing Acute Phase Proteins. Plos One V. 8 67145 2013.
ISSN: ESSN 1932-6203
PubMed: 23843990
DOI: 10.1371/JOURNAL.PONE.0067145