Calcium in PDB 2ylj: Horse Radish Peroxidase, Mutant S167Y

All present enzymatic activity of Horse Radish Peroxidase, Mutant S167Y:
1.11.1.7;

The structure of Horse Radish Peroxidase, Mutant S167Y, PDB code: 2ylj was solved by S.M.Roe, F.S.Al-Fartusie, A.T.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.336 / 1.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.400, 67.370, 117.770, 90.00, 90.00, 90.00
R / Rfree (%)	15.24 / 18.88

The structure of Horse Radish Peroxidase, Mutant S167Y also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the Horse Radish Peroxidase, Mutant S167Y (pdb code 2ylj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Horse Radish Peroxidase, Mutant S167Y, PDB code: 2ylj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Horse Radish Peroxidase, Mutant S167Y


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Horse Radish Peroxidase, Mutant S167Y within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1307 b:9.4 occ:1.00 O A:VAL46 2.4 8.9 1.0 OD1 A:ASP50 2.4 8.9 1.0 OD1 A:ASP43 2.4 9.1 1.0 O A:ASP43 2.4 10.0 1.0 O A:HOH2101 2.5 8.3 1.0 OG A:SER52 2.5 8.9 1.0 O A:GLY48 2.6 8.4 1.0 C A:ASP43 3.3 9.7 1.0 CG A:ASP50 3.4 9.8 1.0 C A:VAL46 3.5 8.6 1.0 CG A:ASP43 3.6 10.0 1.0 CB A:SER52 3.6 8.7 1.0 CA A:ASP43 3.7 9.4 1.0 C A:GLY48 3.8 9.1 1.0 N A:SER52 3.8 9.4 1.0 OD2 A:ASP50 3.9 10.3 1.0 N A:ASP50 4.0 9.8 1.0 N A:GLY48 4.2 7.9 1.0 CA A:SER52 4.2 11.2 1.0 CA A:VAL46 4.2 9.5 1.0 CB A:ASP43 4.2 6.9 1.0 CB A:VAL46 4.3 7.2 1.0 N A:VAL46 4.4 8.1 1.0 C A:ASN47 4.4 10.2 1.0 N A:CYS44 4.4 9.3 1.0 N A:ILE53 4.5 9.6 1.0 OD2 A:ASP43 4.5 10.3 1.0 N A:ASN47 4.5 8.7 1.0 N A:ALA51 4.6 8.0 1.0 CB A:ASP50 4.6 10.7 1.0 CA A:GLY48 4.6 8.8 1.0 OE1 A:GLU64 4.6 9.6 1.0 CB A:ASN47 4.7 10.8 1.0 O A:HIS42 4.7 9.7 1.0 CA A:ASP50 4.7 11.6 1.0 OE2 A:GLU64 4.7 9.6 1.0 CA A:CYS49 4.7 10.4 1.0 CA A:ASN47 4.7 11.1 1.0 N A:CYS49 4.7 7.9 1.0 C A:ASP50 4.8 8.7 1.0 C A:SER52 4.8 13.2 1.0 O A:ASN47 4.9 10.5 1.0 CA A:CYS44 4.9 8.9 1.0 C A:CYS49 4.9 9.7 1.0 C A:ALA51 4.9 10.6 1.0 CG1 A:VAL46 4.9 7.8 1.0 N A:ASP43 5.0 7.8 1.0

Calcium binding site 2 out of 2 in the Horse Radish Peroxidase, Mutant S167Y


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Horse Radish Peroxidase, Mutant S167Y within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1308 b:11.2 occ:1.00 OD2 A:ASP222 2.3 14.2 1.0 O A:THR171 2.4 9.6 1.0 O A:ILE228 2.4 11.5 1.0 O A:THR225 2.5 11.5 1.0 OG1 A:THR225 2.5 10.0 1.0 OD1 A:ASP230 2.6 10.7 1.0 OG1 A:THR171 2.6 10.7 1.0 CG A:ASP222 3.4 10.2 1.0 C A:THR171 3.4 10.9 1.0 CG A:ASP230 3.5 11.5 1.0 C A:THR225 3.5 14.4 1.0 CB A:THR225 3.6 14.2 1.0 C A:ILE228 3.6 13.1 1.0 CB A:THR171 3.7 10.5 1.0 OD2 A:ASP230 3.8 12.2 1.0 CA A:THR171 3.9 12.0 1.0 CA A:THR225 3.9 11.1 1.0 CB A:ASP222 3.9 10.7 1.0 N A:ASP230 4.2 10.9 1.0 N A:ILE228 4.2 13.6 1.0 CG2 A:THR171 4.2 10.2 1.0 N A:THR225 4.2 11.4 1.0 CA A:ILE228 4.3 12.2 1.0 OD1 A:ASP222 4.4 10.2 1.0 O A:ASP230 4.5 12.2 1.0 CB A:ILE228 4.5 11.3 1.0 N A:PHE172 4.6 10.9 1.0 CB A:LYS232 4.6 10.2 1.0 N A:PHE229 4.6 9.2 1.0 N A:PRO226 4.6 10.4 1.0 CB A:ASP230 4.7 15.6 1.0 CA A:PHE229 4.8 9.8 1.0 CG2 A:THR225 4.9 14.3 1.0 CA A:ASP230 4.9 12.4 1.0 C A:PHE229 4.9 12.4 1.0 C A:ASP230 4.9 12.0 1.0 C A:PRO226 5.0 11.8 1.0 CA A:PHE172 5.0 10.1 1.0

U.Sussex, S.M.Roe, F.S.Al-Fartusie, A.T.Smith. N/A N/A.