Calcium in PDB 1mn1: Manganese Peroxidase Substrate Binding Site Mutant D179N

All present enzymatic activity of Manganese Peroxidase Substrate Binding Site Mutant D179N:
1.11.1.13;

The structure of Manganese Peroxidase Substrate Binding Site Mutant D179N, PDB code: 1mn1 was solved by M.Sundaramoorthy, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	163.240, 45.970, 53.570, 90.00, 97.16, 90.00
R / Rfree (%)	18.7 / n/a

The structure of Manganese Peroxidase Substrate Binding Site Mutant D179N also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the Manganese Peroxidase Substrate Binding Site Mutant D179N (pdb code 1mn1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Manganese Peroxidase Substrate Binding Site Mutant D179N, PDB code: 1mn1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Manganese Peroxidase Substrate Binding Site Mutant D179N


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Manganese Peroxidase Substrate Binding Site Mutant D179N within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca371 b:6.7 occ:1.00 O A:THR193 2.3 8.7 1.0 O A:THR196 2.3 10.2 1.0 O A:SER174 2.3 7.8 1.0 OG A:SER174 2.5 5.4 1.0 OD1 A:ASP198 2.5 9.2 1.0 OD2 A:ASP191 2.5 8.0 1.0 OG1 A:THR193 2.6 4.3 1.0 OD1 A:ASP191 2.9 7.5 1.0 CG A:ASP191 3.1 5.1 1.0 C A:THR193 3.2 8.9 1.0 C A:SER174 3.3 7.8 1.0 CG A:ASP198 3.5 12.4 1.0 C A:THR196 3.5 8.1 1.0 CB A:THR193 3.6 6.0 1.0 CB A:SER174 3.6 7.5 1.0 CA A:SER174 3.7 7.1 1.0 CA A:THR193 3.9 7.6 1.0 OD2 A:ASP198 3.9 10.5 1.0 N A:ASP198 4.1 9.7 1.0 N A:PRO194 4.2 10.0 1.0 CA A:THR196 4.3 9.3 1.0 N A:THR196 4.3 8.3 1.0 N A:THR193 4.3 8.0 1.0 CB A:THR196 4.4 8.8 1.0 O A:ASP198 4.5 9.5 1.0 N A:VAL175 4.5 6.6 1.0 CA A:PRO194 4.5 9.0 1.0 N A:PHE197 4.6 8.9 1.0 CB A:ASP191 4.6 6.7 1.0 CB A:ASP198 4.7 10.0 1.0 O A:HOH424 4.7 10.4 1.0 CG1 A:VAL175 4.7 4.7 1.0 CA A:ASP198 4.8 9.5 1.0 CA A:PHE197 4.8 7.0 1.0 CB A:GLN200 4.8 7.5 1.0 C A:ASP198 4.9 9.5 1.0 C A:PRO194 4.9 10.0 1.0 CG2 A:THR193 4.9 10.6 1.0 C A:PHE197 5.0 8.7 1.0

Calcium binding site 2 out of 2 in the Manganese Peroxidase Substrate Binding Site Mutant D179N


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Manganese Peroxidase Substrate Binding Site Mutant D179N within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca372 b:6.9 occ:1.00 OD1 A:ASP47 2.4 10.4 1.0 O A:ASP47 2.4 5.5 1.0 O A:HOH545 2.4 25.4 1.0 OG A:SER66 2.4 11.3 1.0 O A:GLY62 2.4 7.7 1.0 O A:HOH493 2.5 5.0 1.0 OD1 A:ASP64 2.5 8.7 1.0 C A:ASP47 3.3 7.1 1.0 CG A:ASP47 3.5 9.3 1.0 CG A:ASP64 3.5 11.7 1.0 C A:GLY62 3.6 6.5 1.0 CB A:SER66 3.7 8.1 1.0 CA A:ASP47 3.7 7.6 1.0 O A:HOH495 3.9 15.1 1.0 OD2 A:ASP64 4.0 12.6 1.0 N A:ASP64 4.1 11.2 1.0 N A:SER66 4.1 6.3 1.0 CB A:ASP47 4.2 5.1 1.0 OD2 A:ASP47 4.4 7.9 1.0 CA A:GLY62 4.4 7.9 1.0 N A:GLY62 4.4 6.2 1.0 N A:ALA48 4.5 7.3 1.0 CB A:ALA50 4.5 3.6 1.0 CA A:SER66 4.5 7.7 1.0 OE1 A:GLU74 4.5 8.2 1.0 O A:ALA50 4.6 7.5 1.0 N A:GLY65 4.6 8.8 1.0 OE2 A:GLU74 4.6 10.0 1.0 N A:ALA63 4.6 8.1 1.0 CB A:ASP64 4.8 11.5 1.0 O A:HIS46 4.8 6.7 1.0 CA A:ALA63 4.8 9.0 1.0 CA A:ASP64 4.8 10.7 1.0 CA A:ALA48 5.0 6.6 1.0 N A:ASP47 5.0 6.2 1.0 C A:ALA63 5.0 9.9 1.0

M.Sundaramoorthy, K.Kishi, M.H.Gold, T.L.Poulos. Crystal Structures of Substrate Binding Site Mutants of Manganese Peroxidase. J.Biol.Chem. V. 272 17574 1997.
ISSN: ISSN 0021-9258
PubMed: 9211904
DOI: 10.1074/JBC.272.28.17574