Samarium 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:

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

The binding sites of Samarium atom in the Manganese Peroxidase-Sm(III) Complex (pdb code 1yzr). This binding sites where shown within 5.0 Angstroms radius around Samarium atom.
In total only one binding site of Samarium was determined in the Manganese Peroxidase-Sm(III) Complex, PDB code: 1yzr:

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


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 1 of Manganese Peroxidase-Sm(III) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Sm381 b:22.9 occ:1.00 O1D A:HEM396 2.3 21.5 1.0 OE2 A:GLU39 2.4 24.9 1.0 OD2 A:ASP179 2.4 23.5 1.0 O A:HOH1109 2.4 19.5 1.0 O A:HOH1229 2.5 18.9 1.0 OE1 A:GLU35 2.5 23.4 1.0 O A:HOH1040 2.5 19.9 1.0 O2 A:GOL402 2.5 13.7 1.0 CGD A:HEM396 3.3 37.0 1.0 CG A:ASP179 3.4 29.9 1.0 CD A:GLU39 3.4 24.2 1.0 CD A:GLU35 3.5 23.4 1.0 OD1 A:ASP179 3.8 23.2 1.0 C2 A:GOL402 3.8 7.9 1.0 O2D A:HEM396 3.8 28.1 1.0 OE2 A:GLU35 3.9 21.4 1.0 CG A:GLU39 3.9 16.0 1.0 O A:HOH1356 4.3 26.2 1.0 O3 A:GOL402 4.3 66.3 1.0 O A:HOH1195 4.4 16.1 1.0 O2A A:HEM396 4.4 19.8 1.0 C3 A:GOL402 4.5 48.8 1.0 CBD A:HEM396 4.5 22.8 1.0 OE1 A:GLU39 4.5 23.3 1.0 CB A:ASP179 4.6 14.9 1.0 O1 A:GOL402 4.7 92.4 1.0 O A:HOH1400 4.7 50.6 1.0 O A:ARG177 4.7 14.2 1.0 CG A:GLU35 4.8 14.2 1.0 C1 A:GOL402 4.9 65.5 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