Calcium in PDB 8k5m: Structural Evidence For the Order of Preference of Inorganic Substrates in Mammalian Heme Peroxidases: Crystal Structure of the Complex of Lactoperoxidase with Four Inorganic Substrates, Scn, I, Br and Cl

The structure of Structural Evidence For the Order of Preference of Inorganic Substrates in Mammalian Heme Peroxidases: Crystal Structure of the Complex of Lactoperoxidase with Four Inorganic Substrates, Scn, I, Br and Cl, PDB code: 8k5m was solved by V.Viswanathan, A.K.Singh, N.Pandey, M.Sinha, 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)	43.52 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.35, 80.332, 73.391, 90, 103.94, 90
R / Rfree (%)	16.8 / 20.8

The structure of Structural Evidence For the Order of Preference of Inorganic Substrates in Mammalian Heme Peroxidases: Crystal Structure of the Complex of Lactoperoxidase with Four Inorganic Substrates, Scn, I, Br and Cl also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Chlorine	(Cl)	1 atom
Iodine	(I)	16 atoms
Iron	(Fe)	1 atom

The binding sites of Calcium atom in the Structural Evidence For the Order of Preference of Inorganic Substrates in Mammalian Heme Peroxidases: Crystal Structure of the Complex of Lactoperoxidase with Four Inorganic Substrates, Scn, I, Br and Cl (pdb code 8k5m). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structural Evidence For the Order of Preference of Inorganic Substrates in Mammalian Heme Peroxidases: Crystal Structure of the Complex of Lactoperoxidase with Four Inorganic Substrates, Scn, I, Br and Cl, PDB code: 8k5m:

Calcium binding site 1 out of 1 in the Structural Evidence For the Order of Preference of Inorganic Substrates in Mammalian Heme Peroxidases: Crystal Structure of the Complex of Lactoperoxidase with Four Inorganic Substrates, Scn, I, Br and Cl


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Evidence For the Order of Preference of Inorganic Substrates in Mammalian Heme Peroxidases: Crystal Structure of the Complex of Lactoperoxidase with Four Inorganic Substrates, Scn, I, Br and Cl within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:15.7 occ:1.00 O A:PHE186 2.4 13.8 1.0 O A:ASP110 2.4 14.4 1.0 OD2 A:ASP110 2.4 18.7 1.0 OG A:SER190 2.4 17.0 1.0 OG1 A:THR184 2.4 14.7 1.0 O A:THR184 2.4 14.2 1.0 OD1 A:ASP188 2.4 17.4 1.0 C A:THR184 3.3 14.4 1.0 CG A:ASP188 3.4 17.5 1.0 C A:ASP110 3.4 13.2 1.0 CB A:SER190 3.5 16.2 1.0 CG A:ASP110 3.6 17.0 1.0 C A:PHE186 3.6 14.7 1.0 CB A:THR184 3.7 15.6 1.0 OD2 A:ASP188 3.8 16.6 1.0 CA A:THR184 3.8 14.9 1.0 N A:THR184 4.0 14.3 1.0 N A:ASP188 4.1 17.9 1.0 CA A:ASP110 4.1 14.5 1.0 N A:PHE186 4.2 15.1 1.0 N A:SER190 4.3 14.8 1.0 CB A:ASP110 4.3 15.7 1.0 N A:SER185 4.4 13.5 1.0 N A:LEU111 4.4 12.8 1.0 CA A:PHE186 4.5 15.4 1.0 OD1 A:ASP110 4.5 19.6 1.0 CA A:SER190 4.5 14.8 1.0 C A:SER185 4.5 15.5 1.0 O A:HOH872 4.5 13.7 1.0 CB A:ASP188 4.5 16.3 1.0 CA A:LEU111 4.5 12.6 1.0 N A:LEU187 4.6 15.6 1.0 CA A:LEU187 4.6 15.8 1.0 CG2 A:THR184 4.7 15.1 1.0 CA A:ASP188 4.8 16.2 1.0 CD2 A:LEU111 4.8 13.2 1.0 CA A:SER185 4.9 13.8 1.0 C A:LEU187 4.9 17.9 1.0 CB A:PHE186 5.0 17.0 1.0

V.Viswanathan, A.K.Singh, N.Pandey, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Structural Evidence For the Order of Preference of Inorganic Substrates in Mammalian Heme Peroxidases: Crystal Structure of the Complex of Lactoperoxidase with Four Inorganic Substrates, Scn, I, Br and Cl To Be Published.