Iron in PDB 5fiw: Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution

All present enzymatic activity of Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution:
1.11.2.2;

The structure of Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution, PDB code: 5fiw was solved by L.Bonnefond, J.Cavarelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	95.31 / 1.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.160, 105.160, 225.520, 90.00, 90.00, 90.00
R / Rfree (%)	16.296 / 19.267

The structure of Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution also contains other interesting chemical elements:

Chlorine	(Cl)	5 atoms
Calcium	(Ca)	2 atoms

The binding sites of Iron atom in the Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution (pdb code 5fiw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution, PDB code: 5fiw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:15.0 occ:1.00 FE A:HEM605 0.0 15.0 1.0 ND A:HEM605 2.0 14.2 1.0 NA A:HEM605 2.0 13.9 1.0 NE2 C:HIS336 2.1 16.1 1.0 NB A:HEM605 2.1 19.6 1.0 NC A:HEM605 2.1 16.4 1.0 C4D A:HEM605 3.0 13.2 1.0 C1D A:HEM605 3.0 13.2 1.0 C1A A:HEM605 3.0 14.8 1.0 C4A A:HEM605 3.0 15.8 1.0 C1B A:HEM605 3.1 16.9 1.0 CE1 C:HIS336 3.1 12.9 1.0 C4B A:HEM605 3.1 14.7 1.0 CD2 C:HIS336 3.1 12.1 1.0 C4C A:HEM605 3.1 13.4 1.0 C1C A:HEM605 3.2 17.1 1.0 CHA A:HEM605 3.4 14.6 1.0 CHB A:HEM605 3.4 17.7 1.0 CHD A:HEM605 3.5 12.8 1.0 CHC A:HEM605 3.5 14.9 1.0 ND1 C:HIS336 4.2 12.8 1.0 CG C:HIS336 4.3 12.0 1.0 C2A A:HEM605 4.3 16.5 1.0 C3A A:HEM605 4.3 16.9 1.0 C3D A:HEM605 4.3 12.7 1.0 C2C A:HEM605 4.3 14.7 1.0 C2D A:HEM605 4.3 15.0 1.0 C3C A:HEM605 4.4 14.4 1.0 C2B A:HEM605 4.4 17.9 1.0 C3B A:HEM605 4.4 19.5 1.0 CD2 C:LEU417 4.6 18.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe605 b:15.6 occ:1.00 FE B:HEM605 0.0 15.6 1.0 ND B:HEM605 2.0 16.3 1.0 NE2 D:HIS336 2.1 18.9 1.0 NA B:HEM605 2.1 18.0 1.0 NB B:HEM605 2.1 17.6 1.0 NC B:HEM605 2.1 16.7 1.0 O B:HOH2107 2.9 35.0 1.0 C4D B:HEM605 2.9 11.8 1.0 C1D B:HEM605 3.0 13.2 1.0 C4B B:HEM605 3.0 15.8 1.0 C1B B:HEM605 3.1 15.5 1.0 CE1 D:HIS336 3.1 14.9 1.0 C1A B:HEM605 3.1 16.3 1.0 CD2 D:HIS336 3.1 15.8 1.0 C4C B:HEM605 3.1 13.7 1.0 C1C B:HEM605 3.1 15.1 1.0 C4A B:HEM605 3.1 15.6 1.0 CHD B:HEM605 3.4 13.4 1.0 CHC B:HEM605 3.4 12.6 1.0 CHA B:HEM605 3.4 13.7 1.0 CHB B:HEM605 3.5 18.0 1.0 ND1 D:HIS336 4.2 14.2 1.0 CG D:HIS336 4.2 16.1 1.0 C2D B:HEM605 4.3 12.3 1.0 C3D B:HEM605 4.3 12.3 1.0 C2C B:HEM605 4.3 13.7 1.0 C2A B:HEM605 4.3 15.8 1.0 C3C B:HEM605 4.3 14.2 1.0 C3A B:HEM605 4.3 17.4 1.0 C3B B:HEM605 4.3 17.8 1.0 C2B B:HEM605 4.3 17.0 1.0 CD2 D:LEU417 4.6 15.5 1.0

L.Bonnefond, J.Cavarelli. Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution To Be Published.