Calcium in PDB 3nak: Crystal Structure of the Complex of Goat Lactoperoxidase with Hypothiocyanite at 3.3 A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Goat Lactoperoxidase with Hypothiocyanite at 3.3 A Resolution:
1.11.1.7;

The structure of Crystal Structure of the Complex of Goat Lactoperoxidase with Hypothiocyanite at 3.3 A Resolution, PDB code: 3nak was solved by G.Vikram, R.P.Singh, A.K.Singh, M.Sinha, A.Bhushan, P.Kaur, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.87 / 3.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	57.991, 72.272, 83.652, 85.45, 84.04, 75.89
R / Rfree (%)	20.5 / 24.3

The structure of Crystal Structure of the Complex of Goat Lactoperoxidase with Hypothiocyanite at 3.3 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 Hypothiocyanite at 3.3 A Resolution (pdb code 3nak). 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 Hypothiocyanite at 3.3 A Resolution, PDB code: 3nak:
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 Hypothiocyanite at 3.3 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 Hypothiocyanite at 3.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca607 b:25.8 occ:1.00 O A:THR184 2.3 20.9 1.0 OD1 A:ASP188 2.4 21.1 1.0 O A:ASP110 2.4 19.0 1.0 O A:PHE186 2.5 19.5 1.0 OD1 A:ASP110 2.6 18.4 1.0 OG A:SER190 2.6 22.8 1.0 OG1 A:THR184 2.6 20.7 1.0 C A:THR184 3.4 20.9 1.0 CG A:ASP188 3.4 20.6 1.0 C A:ASP110 3.5 19.2 1.0 C A:PHE186 3.7 19.5 1.0 CG A:ASP110 3.7 18.7 1.0 CB A:SER190 3.7 22.2 1.0 OD2 A:ASP188 3.8 20.4 1.0 CB A:THR184 3.9 21.0 1.0 CA A:THR184 4.0 21.0 1.0 N A:ASP188 4.1 20.0 1.0 N A:PHE186 4.1 19.9 1.0 N A:THR184 4.2 21.3 1.0 CA A:ASP110 4.3 18.9 1.0 N A:LEU111 4.3 19.6 1.0 N A:SER185 4.4 20.8 1.0 C A:SER185 4.5 20.2 1.0 CA A:LEU111 4.5 20.0 1.0 CA A:PHE186 4.5 19.6 1.0 OD2 A:ASP110 4.6 18.9 1.0 CB A:ASP110 4.6 18.8 1.0 N A:SER190 4.6 22.0 1.0 CB A:ASP188 4.6 20.3 1.0 N A:LEU187 4.7 19.4 1.0 CA A:SER185 4.7 20.5 1.0 CA A:ASP188 4.8 20.3 1.0 CG2 A:THR184 4.8 21.0 1.0 CA A:LEU187 4.8 19.4 1.0 CA A:SER190 4.8 22.3 1.0 C A:LEU187 5.0 19.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Complex of Goat Lactoperoxidase with Hypothiocyanite at 3.3 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 Hypothiocyanite at 3.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca607 b:34.9 occ:1.00 OG B:SER190 1.9 20.5 1.0 O B:PHE186 2.0 17.1 1.0 OD1 B:ASP110 2.4 15.6 1.0 OD1 B:ASP188 2.4 17.7 1.0 O B:THR184 2.4 17.7 1.0 O B:ASP110 2.7 16.0 1.0 OG1 B:THR184 2.7 17.0 1.0 C B:PHE186 3.2 17.2 1.0 CB B:SER190 3.3 20.1 1.0 C B:THR184 3.4 17.8 1.0 CG B:ASP188 3.5 17.5 1.0 C B:ASP110 3.6 16.0 1.0 CG B:ASP110 3.6 15.6 1.0 N B:ASP188 3.8 17.5 1.0 CB B:THR184 3.8 17.6 1.0 N B:PHE186 3.9 17.3 1.0 CA B:PHE186 4.1 17.3 1.0 OD2 B:ASP188 4.1 17.5 1.0 CA B:THR184 4.1 17.9 1.0 N B:LEU187 4.2 17.2 1.0 C B:SER185 4.2 17.4 1.0 N B:SER190 4.2 19.4 1.0 CA B:LEU187 4.3 17.2 1.0 CA B:SER190 4.4 20.0 1.0 N B:LEU111 4.4 16.4 1.0 N B:SER185 4.4 17.6 1.0 CA B:LEU111 4.4 16.9 1.0 CA B:ASP110 4.4 15.7 1.0 N B:THR184 4.5 18.5 1.0 CB B:ASP110 4.5 15.6 1.0 CD2 B:LEU111 4.5 15.9 1.0 OD2 B:ASP110 4.5 16.1 1.0 C B:LEU187 4.6 17.3 1.0 O B:SER185 4.6 17.6 1.0 CA B:ASP188 4.6 17.6 1.0 CB B:ASP188 4.6 17.6 1.0 CA B:SER185 4.7 17.4 1.0 CB B:PHE186 4.8 17.4 1.0 N B:ALA189 4.9 18.1 1.0 C B:ASP188 4.9 17.7 1.0

G.Vikram, R.P.Singh, A.K.Singh, M.Sinha, A.Bhushan, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of the Complex of Goat Lactoperoxidase with Hypothiocyanite at 3.3 A Resolution To Be Published.