Calcium in PDB 1h58: Structure of Ferrous Horseradish Peroxidase C1A

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

The structure of Structure of Ferrous Horseradish Peroxidase C1A, PDB code: 1h58 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)	25.90 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.266, 67.091, 117.523, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20

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

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the Structure of Ferrous Horseradish Peroxidase C1A (pdb code 1h58). 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 Ferrous Horseradish Peroxidase C1A, PDB code: 1h58:
Jump to Calcium binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Ferrous Horseradish Peroxidase C1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:6.7 occ:1.00 O A:ASP43 2.3 7.7 1.0 OD1 A:ASP50 2.3 8.3 1.0 O A:VAL46 2.3 7.3 1.0 OD1 A:ASP43 2.4 7.7 1.0 O A:HOH2134 2.4 5.4 1.0 OG A:SER52 2.5 9.0 1.0 O A:GLY48 2.5 8.7 1.0 C A:ASP43 3.2 8.0 1.0 CG A:ASP50 3.4 9.1 1.0 C A:VAL46 3.5 7.6 1.0 CG A:ASP43 3.5 8.3 1.0 CB A:SER52 3.6 9.0 1.0 CA A:ASP43 3.7 6.8 1.0 C A:GLY48 3.7 7.2 1.0 N A:SER52 3.9 8.6 1.0 N A:ASP50 3.9 6.7 1.0 OD2 A:ASP50 4.0 7.0 1.0 CB A:ASP43 4.2 7.4 1.0 CB A:VAL46 4.2 8.0 1.0 CA A:VAL46 4.2 7.2 1.0 CA A:SER52 4.3 8.5 1.0 N A:GLY48 4.3 8.1 1.0 N A:VAL46 4.3 7.3 1.0 N A:CYS44 4.4 6.8 1.0 OD2 A:ASP43 4.4 8.4 1.0 C A:ASN47 4.4 9.3 1.0 N A:ILE53 4.4 7.4 1.0 N A:ASN47 4.5 7.9 1.0 N A:ALA51 4.5 6.9 1.0 CA A:CYS49 4.6 7.0 1.0 CB A:ASP50 4.6 7.9 1.0 N A:CYS49 4.6 7.2 1.0 CA A:ASP50 4.6 7.9 1.0 CA A:GLY48 4.6 7.5 1.0 OE1 A:GLU64 4.6 7.2 1.0 OE2 A:GLU64 4.7 7.0 1.0 O A:HIS42 4.7 7.5 1.0 CB A:ASN47 4.7 10.5 1.0 C A:ASP50 4.8 7.6 1.0 O A:ASN47 4.8 9.1 1.0 C A:CYS49 4.8 8.2 1.0 CA A:ASN47 4.8 9.0 1.0 CA A:CYS44 4.8 7.4 1.0 C A:SER52 4.8 7.5 1.0 CG1 A:VAL46 4.9 8.0 1.0 C A:ALA51 5.0 8.9 1.0 N A:ASP43 5.0 8.1 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Ferrous Horseradish Peroxidase C1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:9.0 occ:1.00 O A:THR171 2.3 7.6 1.0 OD2 A:ASP222 2.3 13.0 1.0 O A:ILE228 2.4 8.9 1.0 O A:THR225 2.4 10.9 1.0 OG1 A:THR225 2.4 10.0 1.0 OG1 A:THR171 2.5 8.3 1.0 OD1 A:ASP230 2.5 9.2 1.0 C A:THR171 3.3 9.2 1.0 CG A:ASP222 3.4 9.2 1.0 C A:THR225 3.4 9.4 1.0 CG A:ASP230 3.5 10.2 1.0 CB A:THR225 3.5 10.8 1.0 C A:ILE228 3.6 9.3 1.0 CB A:THR171 3.6 7.5 1.0 OD2 A:ASP230 3.8 10.9 1.0 CA A:THR171 3.8 8.2 1.0 CB A:ASP222 3.9 8.4 1.0 CA A:THR225 3.9 9.9 1.0 N A:ASP230 4.1 10.7 1.0 N A:ILE228 4.3 9.9 1.0 N A:THR225 4.3 9.6 1.0 CG2 A:THR171 4.3 7.9 1.0 CA A:ILE228 4.3 9.2 1.0 OD1 A:ASP222 4.5 8.6 1.0 CB A:LYS232 4.5 10.6 1.0 N A:PHE172 4.5 8.7 1.0 CB A:ILE228 4.5 10.7 1.0 N A:PRO226 4.6 10.4 1.0 N A:PHE229 4.6 8.3 1.0 O A:ASP230 4.6 10.1 1.0 CB A:ASP230 4.7 11.3 1.0 CA A:PHE229 4.7 8.8 1.0 CG A:LYS232 4.8 14.8 1.0 CG2 A:THR225 4.8 10.2 1.0 CA A:ASP230 4.8 9.4 1.0 C A:PHE229 4.9 11.1 1.0 CA A:PHE172 4.9 7.5 1.0 C A:ASP230 4.9 10.0 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