Iron in PDB 1yzr: Manganese Peroxidase-Sm(III) Complex

All present enzymatic activity of Manganese Peroxidase-Sm(III) Complex:
1.11.1.13;

The structure of Manganese Peroxidase-Sm(III) Complex, PDB code: 1yzr was solved by M.Sundaramoorthy, H.L.Youngs, M.H.Gold, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.667, 45.293, 52.850, 90.00, 97.12, 90.00
R / Rfree (%)	15.4 / 16.3

The structure of Manganese Peroxidase-Sm(III) Complex also contains other interesting chemical elements:

Samarium	(Sm)	1 atom
Calcium	(Ca)	2 atoms

The binding sites of Iron atom in the Manganese Peroxidase-Sm(III) Complex (pdb code 1yzr). 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 Manganese Peroxidase-Sm(III) Complex, PDB code: 1yzr:

Iron binding site 1 out of 1 in the Manganese Peroxidase-Sm(III) Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Manganese Peroxidase-Sm(III) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe396 b:16.4 occ:1.00 FE A:HEM396 0.0 16.4 1.0 O A:HOH1138 2.0 27.9 1.0 ND A:HEM396 2.0 14.4 1.0 NC A:HEM396 2.0 16.8 1.0 NA A:HEM396 2.0 16.8 1.0 NB A:HEM396 2.0 14.5 1.0 NE2 A:HIS173 2.1 14.9 1.0 CE1 A:HIS173 3.0 13.1 1.0 C1D A:HEM396 3.0 12.9 1.0 C4C A:HEM396 3.0 18.9 1.0 C4D A:HEM396 3.0 16.4 1.0 C1B A:HEM396 3.1 20.5 1.0 C4A A:HEM396 3.1 15.0 1.0 C1C A:HEM396 3.1 18.7 1.0 C1A A:HEM396 3.1 15.0 1.0 C4B A:HEM396 3.1 18.3 1.0 CD2 A:HIS173 3.2 10.7 1.0 CHD A:HEM396 3.4 11.2 1.0 CHA A:HEM396 3.4 13.3 1.0 CHB A:HEM396 3.4 20.1 1.0 CHC A:HEM396 3.5 20.8 1.0 O A:HOH1553 3.8 21.0 0.5 ND1 A:HIS173 4.2 15.0 1.0 C3D A:HEM396 4.3 13.9 1.0 C2D A:HEM396 4.3 12.8 1.0 C3C A:HEM396 4.3 18.3 1.0 C2C A:HEM396 4.3 22.1 1.0 C2A A:HEM396 4.3 13.6 1.0 C2B A:HEM396 4.3 14.4 1.0 CG A:HIS173 4.3 9.9 1.0 C3A A:HEM396 4.3 15.1 1.0 C3B A:HEM396 4.3 16.4 1.0 O A:HOH1553 4.6 22.4 0.5 NE A:ARG42 4.9 21.6 1.0 CE2 A:PHE190 5.0 15.7 1.0 CG A:ARG42 5.0 14.3 1.0

M.Sundaramoorthy, H.L.Youngs, M.H.Gold, T.L.Poulos. High-Resolution Crystal Structure of Manganese Peroxidase: Substrate and Inhibitor Complexes. Biochemistry V. 44 6463 2005.
ISSN: ISSN 0006-2960
PubMed: 15850380
DOI: 10.1021/BI047318E