Iron in PDB 1yyg: Manganese Peroxidase Complexed with Cd(II) Inhibitor

All present enzymatic activity of Manganese Peroxidase Complexed with Cd(II) Inhibitor:
1.11.1.13;

The structure of Manganese Peroxidase Complexed with Cd(II) Inhibitor, PDB code: 1yyg 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 (°)	160.352, 45.259, 52.714, 90.00, 97.21, 90.00
R / Rfree (%)	n/a / 22.5

The structure of Manganese Peroxidase Complexed with Cd(II) Inhibitor also contains other interesting chemical elements:

Calcium	(Ca)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Iron atom in the Manganese Peroxidase Complexed with Cd(II) Inhibitor (pdb code 1yyg). 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 Complexed with Cd(II) Inhibitor, PDB code: 1yyg:

Iron binding site 1 out of 1 in the Manganese Peroxidase Complexed with Cd(II) Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Manganese Peroxidase Complexed with Cd(II) Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe396 b:14.0 occ:1.00 FE A:HEM396 0.0 14.0 1.0 ND A:HEM396 2.0 13.1 1.0 O A:HOH1138 2.0 26.3 1.0 NC A:HEM396 2.0 13.4 1.0 NB A:HEM396 2.0 12.2 1.0 NA A:HEM396 2.0 13.4 1.0 NE2 A:HIS173 2.2 12.0 1.0 C4D A:HEM396 3.0 14.7 1.0 C1D A:HEM396 3.0 10.1 1.0 C1B A:HEM396 3.0 18.4 1.0 C4C A:HEM396 3.0 14.9 1.0 C1C A:HEM396 3.1 20.6 1.0 C1A A:HEM396 3.1 19.2 1.0 C4A A:HEM396 3.1 13.2 1.0 C4B A:HEM396 3.1 18.2 1.0 CE1 A:HIS173 3.1 16.9 1.0 CD2 A:HIS173 3.2 13.1 1.0 CHD A:HEM396 3.4 12.6 1.0 CHA A:HEM396 3.4 11.3 1.0 CHB A:HEM396 3.4 15.9 1.0 CHC A:HEM396 3.5 14.6 1.0 C3D A:HEM396 4.2 13.5 1.0 ND1 A:HIS173 4.3 14.8 1.0 C2D A:HEM396 4.3 12.5 1.0 C2C A:HEM396 4.3 19.4 1.0 C3C A:HEM396 4.3 16.0 1.0 C2B A:HEM396 4.3 16.9 1.0 C2A A:HEM396 4.3 15.6 1.0 C3B A:HEM396 4.3 16.9 1.0 C3A A:HEM396 4.3 18.8 1.0 CG A:HIS173 4.3 12.2 1.0 CD1 A:PHE45 4.9 15.1 1.0 CG A:ARG42 5.0 12.9 1.0 CE1 A:PHE45 5.0 17.5 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