Calcium in PDB 2e9e: Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution:
1.11.1.7;

The structure of Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution, PDB code: 2e9e was solved by A.K.Singh, R.Prem Kumar, N.Singh, S.Sharma, S.B.Singh, A.Bhushan, P.Kaur, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.25
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.522, 72.537, 83.983, 85.30, 84.06, 75.68
R / Rfree (%)	16.9 / 20.3

The structure of Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution (pdb code 2e9e). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution, PDB code: 2e9e:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca704 b:13.9 occ:1.00 O A:ASP110 2.3 2.9 1.0 OD1 A:ASP110 2.5 5.0 1.0 O A:PHE186 2.5 4.2 1.0 O A:THR184 2.6 3.5 1.0 OD1 A:ASP188 2.6 5.7 1.0 OG1 A:THR184 2.6 3.3 1.0 OG A:SER190 2.6 7.3 1.0 C A:ASP110 3.4 3.2 1.0 C A:THR184 3.4 4.0 1.0 CB A:SER190 3.6 5.2 1.0 CG A:ASP188 3.6 4.2 1.0 CG A:ASP110 3.7 4.9 1.0 C A:PHE186 3.7 3.9 1.0 CB A:THR184 3.8 4.5 1.0 CA A:THR184 4.0 4.2 1.0 N A:THR184 4.1 4.6 1.0 N A:ASP188 4.1 2.9 1.0 OD2 A:ASP188 4.1 5.3 1.0 N A:PHE186 4.2 4.5 1.0 CA A:ASP110 4.2 3.2 1.0 N A:LEU111 4.4 3.2 1.0 CB A:ASP110 4.5 3.9 1.0 N A:SER190 4.5 3.5 1.0 N A:SER185 4.5 4.5 1.0 CA A:LEU111 4.5 3.2 1.0 C A:SER185 4.5 5.3 1.0 CA A:PHE186 4.5 3.7 1.0 OD2 A:ASP110 4.5 5.2 1.0 N A:LEU187 4.7 4.3 1.0 CD2 A:LEU111 4.7 2.0 1.0 CA A:SER190 4.7 4.9 1.0 CB A:ASP188 4.7 3.5 1.0 CA A:LEU187 4.8 3.5 1.0 CA A:ASP188 4.8 3.5 1.0 CA A:SER185 4.9 5.7 1.0 CG2 A:THR184 4.9 4.7 1.0 C A:LEU187 5.0 3.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca724 b:4.8 occ:1.00 O B:ASP110 2.5 2.1 1.0 OD1 B:ASP110 2.5 3.5 1.0 OG1 B:THR184 2.5 2.8 1.0 OD1 B:ASP188 2.5 6.6 1.0 O B:PHE186 2.6 4.3 1.0 OG B:SER190 2.6 10.1 1.0 O B:THR184 2.7 3.7 1.0 CG B:ASP188 3.4 5.4 1.0 CB B:SER190 3.5 7.7 1.0 C B:THR184 3.5 3.1 1.0 C B:ASP110 3.6 2.3 1.0 C B:PHE186 3.7 3.9 1.0 CG B:ASP110 3.7 4.9 1.0 CB B:THR184 3.8 4.2 1.0 OD2 B:ASP188 3.8 6.6 1.0 N B:ASP188 4.0 3.4 1.0 CA B:THR184 4.0 3.5 1.0 N B:THR184 4.1 3.9 1.0 N B:PHE186 4.3 2.5 1.0 N B:SER190 4.3 5.2 1.0 CA B:ASP110 4.4 2.5 1.0 C B:SER185 4.5 2.4 1.0 CA B:SER190 4.5 6.9 1.0 CA B:PHE186 4.5 3.1 1.0 CB B:ASP188 4.5 3.6 1.0 CB B:ASP110 4.6 2.9 1.0 N B:LEU111 4.6 2.1 1.0 N B:SER185 4.6 2.7 1.0 O B:HOH1089 4.6 12.0 1.0 N B:LEU187 4.6 5.0 1.0 OD2 B:ASP110 4.6 7.7 1.0 CA B:LEU111 4.6 2.0 1.0 CA B:ASP188 4.7 3.5 1.0 CA B:LEU187 4.7 4.9 1.0 O B:SER185 4.9 2.4 1.0 C B:LEU187 4.9 4.1 1.0 CG2 B:THR184 4.9 3.9 1.0 CA B:SER185 4.9 2.4 1.0 C B:ASP188 4.9 3.2 1.0

A.K.Singh, R.Prem Kumar, N.Singh, S.Sharma, S.B.Singh, A.Bhushan, P.Kaur, T.P.Singh. Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution To Be Published.