Iron in PDB 3m8m: 1.05 A Structure of Manganese-Free Manganese Peroxidase

All present enzymatic activity of 1.05 A Structure of Manganese-Free Manganese Peroxidase:
1.11.1.13;

The structure of 1.05 A Structure of Manganese-Free Manganese Peroxidase, PDB code: 3m8m was solved by M.Sundaramoorthy, 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 / 1.05
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.570, 45.300, 52.830, 90.00, 97.31, 90.00
R / Rfree (%)	11.6 / 13.9

The structure of 1.05 A Structure of Manganese-Free Manganese Peroxidase also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the 1.05 A Structure of Manganese-Free Manganese Peroxidase (pdb code 3m8m). 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 1.05 A Structure of Manganese-Free Manganese Peroxidase, PDB code: 3m8m:

Iron binding site 1 out of 1 in the 1.05 A Structure of Manganese-Free Manganese Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.05 A Structure of Manganese-Free Manganese Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe396 b:6.2 occ:1.00 FE A:HEM396 0.0 6.2 1.0 NB A:HEM396 2.0 7.5 1.0 ND A:HEM396 2.0 7.5 1.0 NC A:HEM396 2.0 7.9 1.0 NA A:HEM396 2.0 7.3 1.0 NE2 A:HIS173 2.1 7.3 1.0 O A:HOH1137 2.4 27.7 1.0 C1C A:HEM396 3.0 8.3 1.0 C4B A:HEM396 3.0 7.8 1.0 C4D A:HEM396 3.0 7.2 1.0 C1A A:HEM396 3.1 7.3 1.0 CE1 A:HIS173 3.1 6.7 1.0 C1D A:HEM396 3.1 7.6 1.0 C1B A:HEM396 3.1 7.0 1.0 C4A A:HEM396 3.1 6.9 1.0 C4C A:HEM396 3.1 7.8 1.0 CD2 A:HIS173 3.1 6.1 1.0 CHC A:HEM396 3.4 8.1 1.0 CHB A:HEM396 3.4 7.5 1.0 CHD A:HEM396 3.4 7.9 1.0 CHA A:HEM396 3.4 7.0 1.0 ND1 A:HIS173 4.2 6.6 1.0 C2D A:HEM396 4.3 7.0 1.0 C3D A:HEM396 4.3 7.5 1.0 C2C A:HEM396 4.3 8.5 1.0 C3B A:HEM396 4.3 8.0 1.0 CG A:HIS173 4.3 6.4 1.0 C2A A:HEM396 4.3 7.3 1.0 C2B A:HEM396 4.3 7.2 1.0 C3A A:HEM396 4.3 7.2 1.0 C3C A:HEM396 4.3 8.0 1.0 NE A:ARG42 4.8 8.1 0.5 CG A:ARG42 4.9 6.7 0.5

M.Sundaramoorthy, M.H.Gold, T.L.Poulos. Ultrahigh (0.93A) Resolution Structure of Manganese Peroxidase From Phanerochaete Chrysosporium: Implications For the Catalytic Mechanism. J.Inorg.Biochem. V. 104 683 2010.
ISSN: ISSN 0162-0134
PubMed: 20356630
DOI: 10.1016/J.JINORGBIO.2010.02.011