Manganese in PDB 3m5q: 0.93 A Structure of Manganese-Bound Manganese Peroxidase

All present enzymatic activity of 0.93 A Structure of Manganese-Bound Manganese Peroxidase:
1.11.1.13;

The structure of 0.93 A Structure of Manganese-Bound Manganese Peroxidase, PDB code: 3m5q 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 / 0.93
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 (%)	n/a / 13.4

The structure of 0.93 A Structure of Manganese-Bound Manganese Peroxidase also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Calcium	(Ca)	2 atoms

The binding sites of Manganese atom in the 0.93 A Structure of Manganese-Bound Manganese Peroxidase (pdb code 3m5q). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the 0.93 A Structure of Manganese-Bound Manganese Peroxidase, PDB code: 3m5q:

Manganese binding site 1 out of 1 in the 0.93 A Structure of Manganese-Bound Manganese Peroxidase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 0.93 A Structure of Manganese-Bound Manganese Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn381 b:10.3 occ:1.00 O1D A:HEM396 2.1 11.8 1.0 OE2 A:GLU39 2.1 14.6 1.0 O A:HOH1040 2.3 11.7 1.0 O A:HOH1108 2.3 12.2 1.0 OD2 A:ASP179 2.3 13.4 1.0 OE1 A:GLU35 2.3 11.1 1.0 CGD A:HEM396 3.0 8.9 1.0 CD A:GLU39 3.1 14.3 1.0 CG A:ASP179 3.3 11.3 1.0 CD A:GLU35 3.3 9.7 1.0 OE2 A:GLU35 3.5 9.7 1.0 O2D A:HEM396 3.6 9.5 1.0 OD1 A:ASP179 3.7 11.6 1.0 CG A:GLU39 3.7 10.8 1.0 OE1 A:GLU39 4.0 20.2 1.0 O A:HOH1190 4.1 10.5 1.0 CBD A:HEM396 4.1 8.0 1.0 O A:HOH1349 4.2 38.9 1.0 O A:HOH1534 4.3 39.1 1.0 O A:ARG177 4.3 7.4 1.0 O A:HOH1223 4.4 22.2 1.0 CB A:ASP179 4.6 10.6 1.0 CG A:GLU35 4.6 9.9 1.0 O2A A:HEM396 4.7 8.8 1.0 O A:HOH1057 4.7 34.4 1.0 C A:ARG177 5.0 6.5 1.0

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