Iron in PDB 1myp: X-Ray Crystal Structure of Canine Myeloperoxidase at 3 Angstroms Resolution

All present enzymatic activity of X-Ray Crystal Structure of Canine Myeloperoxidase at 3 Angstroms Resolution:
1.11.1.7;

The structure of X-Ray Crystal Structure of Canine Myeloperoxidase at 3 Angstroms Resolution, PDB code: 1myp was solved by R.E.Fenna, J.Zeng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 3.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	133.000, 133.000, 203.600, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of X-Ray Crystal Structure of Canine Myeloperoxidase at 3 Angstroms Resolution also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the X-Ray Crystal Structure of Canine Myeloperoxidase at 3 Angstroms Resolution (pdb code 1myp). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Crystal Structure of Canine Myeloperoxidase at 3 Angstroms Resolution, PDB code: 1myp:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Crystal Structure of Canine Myeloperoxidase at 3 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure of Canine Myeloperoxidase at 3 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe580 b:15.0 occ:1.00 FE A:HEM580 0.0 15.0 1.0 NA A:HEM580 1.9 15.0 1.0 NB A:HEM580 2.0 15.0 1.0 ND A:HEM580 2.2 15.0 1.0 NC A:HEM580 2.2 15.0 1.0 NE2 C:HIS336 2.2 15.0 1.0 CE1 C:HIS336 2.7 15.0 1.0 C1A A:HEM580 2.9 15.0 1.0 C4A A:HEM580 2.9 15.0 1.0 C1B A:HEM580 3.0 15.0 1.0 C4B A:HEM580 3.0 15.0 1.0 C4D A:HEM580 3.1 15.0 1.0 C1C A:HEM580 3.2 15.0 1.0 C4C A:HEM580 3.2 15.0 1.0 C1D A:HEM580 3.2 15.0 1.0 CHB A:HEM580 3.3 15.0 1.0 CHA A:HEM580 3.3 15.0 1.0 CHC A:HEM580 3.4 15.0 1.0 CD2 C:HIS336 3.5 15.0 1.0 CHD A:HEM580 3.6 15.0 1.0 ND1 C:HIS336 4.0 15.0 1.0 C2A A:HEM580 4.1 15.0 1.0 C3A A:HEM580 4.1 15.0 1.0 C2B A:HEM580 4.2 15.0 1.0 C3B A:HEM580 4.2 15.0 1.0 CG C:HIS336 4.4 15.0 1.0 C3D A:HEM580 4.4 15.0 1.0 C2C A:HEM580 4.4 15.0 1.0 C3C A:HEM580 4.4 15.0 1.0 C2D A:HEM580 4.4 15.0 1.0 CB C:ARG333 4.8 15.0 1.0

Iron binding site 2 out of 2 in the X-Ray Crystal Structure of Canine Myeloperoxidase at 3 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Crystal Structure of Canine Myeloperoxidase at 3 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe580 b:15.0 occ:1.00 FE B:HEM580 0.0 15.0 1.0 NC B:HEM580 1.9 15.0 1.0 NA B:HEM580 2.0 15.0 1.0 ND B:HEM580 2.0 15.0 1.0 NB B:HEM580 2.1 15.0 1.0 NE2 D:HIS336 2.5 15.0 1.0 C1C B:HEM580 3.0 15.0 1.0 C1A B:HEM580 3.0 15.0 1.0 C4C B:HEM580 3.0 15.0 1.0 C4D B:HEM580 3.0 15.0 1.0 C4B B:HEM580 3.0 15.0 1.0 C4A B:HEM580 3.1 15.0 1.0 C1D B:HEM580 3.1 15.0 1.0 C1B B:HEM580 3.1 15.0 1.0 CE1 D:HIS336 3.3 15.0 1.0 CHA B:HEM580 3.3 15.0 1.0 CHC B:HEM580 3.3 15.0 1.0 CHD B:HEM580 3.4 15.0 1.0 CHB B:HEM580 3.5 15.0 1.0 CD2 D:HIS336 3.5 15.0 1.0 C2C B:HEM580 4.2 15.0 1.0 C3C B:HEM580 4.2 15.0 1.0 C2A B:HEM580 4.2 15.0 1.0 C3A B:HEM580 4.3 15.0 1.0 C3D B:HEM580 4.3 15.0 1.0 C3B B:HEM580 4.3 15.0 1.0 C2D B:HEM580 4.3 15.0 1.0 C2B B:HEM580 4.3 15.0 1.0 ND1 D:HIS336 4.4 15.0 1.0 CG D:HIS336 4.5 15.0 1.0 OE2 D:GLU242 4.6 15.0 1.0 OE1 B:GLN91 4.8 15.0 1.0 CD2 D:LEU417 4.8 15.0 1.0

J.Zeng, R.E.Fenna. X-Ray Crystal Structure of Canine Myeloperoxidase at 3 A Resolution. J.Mol.Biol. V. 226 185 1992.
ISSN: ISSN 0022-2836
PubMed: 1320128
DOI: 10.1016/0022-2836(92)90133-5