Calcium in PDB 1h57: Structure of Horseradish Peroxidase C1A Compound III

All present enzymatic activity of Structure of Horseradish Peroxidase C1A Compound III:
1.11.1.7;

The structure of Structure of Horseradish Peroxidase C1A Compound III, PDB code: 1h57 was solved by G.I.Berglund, G.H.Carlsson, J.Hajdu, A.T.Smith, H.Szoke, A.Henriksen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.18 / 1.6
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.340, 67.227, 117.552, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 19.6

The structure of Structure of Horseradish Peroxidase C1A Compound III also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the Structure of Horseradish Peroxidase C1A Compound III (pdb code 1h57). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Horseradish Peroxidase C1A Compound III, PDB code: 1h57:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Horseradish Peroxidase C1A Compound III


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Horseradish Peroxidase C1A Compound III within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:7.8 occ:1.00 O A:VAL46 2.3 8.8 1.0 OD1 A:ASP50 2.3 9.9 1.0 O A:ASP43 2.3 8.6 1.0 OD1 A:ASP43 2.4 7.7 1.0 OG A:SER52 2.5 7.8 1.0 O A:HOH2110 2.5 7.8 1.0 O A:GLY48 2.5 9.6 1.0 C A:ASP43 3.2 8.2 1.0 CG A:ASP50 3.4 9.9 1.0 C A:VAL46 3.5 7.8 1.0 CG A:ASP43 3.5 8.8 1.0 CB A:SER52 3.6 8.4 1.0 C A:GLY48 3.7 8.3 1.0 CA A:ASP43 3.7 8.4 1.0 N A:SER52 3.9 10.0 1.0 OD2 A:ASP50 3.9 8.8 1.0 N A:ASP50 3.9 8.7 1.0 CB A:VAL46 4.2 7.7 1.0 CA A:VAL46 4.2 8.3 1.0 CB A:ASP43 4.2 9.3 1.0 N A:GLY48 4.3 8.5 1.0 CA A:SER52 4.3 9.5 1.0 N A:VAL46 4.3 7.7 1.0 N A:CYS44 4.4 7.7 1.0 C A:ASN47 4.4 9.9 1.0 N A:ILE53 4.5 8.9 1.0 OD2 A:ASP43 4.5 8.8 1.0 N A:ASN47 4.5 8.3 1.0 N A:ALA51 4.5 9.0 1.0 CB A:ASP50 4.6 8.3 1.0 CA A:CYS49 4.6 7.7 1.0 N A:CYS49 4.6 7.8 1.0 CA A:GLY48 4.6 8.4 1.0 OE1 A:GLU64 4.7 8.9 1.0 CA A:ASP50 4.7 9.6 1.0 OE2 A:GLU64 4.7 9.9 1.0 CB A:ASN47 4.7 10.3 1.0 O A:HIS42 4.7 8.8 1.0 C A:ASP50 4.8 9.3 1.0 CA A:ASN47 4.8 9.3 1.0 O A:ASN47 4.8 10.5 1.0 C A:CYS49 4.8 8.8 1.0 CA A:CYS44 4.8 7.4 1.0 C A:SER52 4.8 9.3 1.0 CG1 A:VAL46 4.9 9.7 1.0 C A:ALA51 5.0 10.4 1.0

Calcium binding site 2 out of 2 in the Structure of Horseradish Peroxidase C1A Compound III


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Horseradish Peroxidase C1A Compound III within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:10.8 occ:1.00 OD2 A:ASP222 2.3 13.2 1.0 O A:THR171 2.3 10.8 1.0 OG1 A:THR225 2.4 12.1 1.0 O A:ILE228 2.4 10.4 1.0 O A:THR225 2.5 13.8 1.0 OD1 A:ASP230 2.5 12.6 1.0 OG1 A:THR171 2.5 9.7 1.0 C A:THR171 3.4 11.0 1.0 CG A:ASP222 3.4 9.5 1.0 CG A:ASP230 3.5 12.8 1.0 C A:THR225 3.5 12.5 1.0 CB A:THR225 3.6 13.2 1.0 C A:ILE228 3.6 11.4 1.0 CB A:THR171 3.6 9.2 1.0 OD2 A:ASP230 3.8 12.8 1.0 CA A:THR171 3.9 10.1 1.0 CB A:ASP222 3.9 9.0 1.0 CA A:THR225 4.0 11.2 1.0 N A:ASP230 4.1 13.3 1.0 CG2 A:THR171 4.2 7.9 1.0 N A:ILE228 4.3 12.3 1.0 N A:THR225 4.3 11.5 1.0 CA A:ILE228 4.3 12.5 1.0 OD1 A:ASP222 4.4 9.8 1.0 CB A:LYS232 4.5 12.9 1.0 N A:PHE172 4.5 10.5 1.0 CB A:ILE228 4.5 14.4 1.0 O A:ASP230 4.6 12.7 1.0 N A:PHE229 4.6 10.8 1.0 N A:PRO226 4.6 12.8 1.0 CB A:ASP230 4.7 12.9 1.0 CA A:PHE229 4.8 10.6 1.0 CG2 A:THR225 4.8 12.4 1.0 CA A:ASP230 4.8 12.7 1.0 CG A:LYS232 4.8 18.0 1.0 C A:PHE229 4.9 12.2 1.0 C A:ASP230 4.9 13.2 1.0 CA A:PHE172 4.9 9.0 1.0

G.I.Berglund, G.H.Carlsson, A.T.Smith, H.Szoke, A.Henriksen, J.Hajdu. The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature V. 417 463 2002.
ISSN: ISSN 0028-0836
PubMed: 12024218
DOI: 10.1038/417463A