Calcium in PDB 9h1m: Recombinant Ferric Horseradish Peroxidase C1A

All present enzymatic activity of Recombinant Ferric Horseradish Peroxidase C1A:
1.11.1.7;

The structure of Recombinant Ferric Horseradish Peroxidase C1A, PDB code: 9h1m was solved by M.L.Nesa, S.K.Mandal, C.Toelzer, D.Humer, P.C.E.Moody, I.Berger, O.Spadiut, E.L.Raven, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.20 / 1.63
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.157, 67.061, 117.178, 90, 90, 90
R / Rfree (%)	17 / 18.9

The structure of Recombinant Ferric Horseradish Peroxidase C1A also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the Recombinant Ferric Horseradish Peroxidase C1A (pdb code 9h1m). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Recombinant Ferric Horseradish Peroxidase C1A, PDB code: 9h1m:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Recombinant Ferric 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 Recombinant Ferric Horseradish Peroxidase C1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:19.1 occ:1.00 O A:VAL46 2.3 20.4 1.0 OD1 A:ASP50 2.4 19.9 1.0 O A:ASP43 2.4 18.5 1.0 OD1 A:ASP43 2.4 22.7 1.0 OG A:SER52 2.4 21.9 1.0 O A:HOH510 2.4 20.6 1.0 O A:GLY48 2.5 20.3 1.0 C A:ASP43 3.3 17.9 1.0 CG A:ASP50 3.4 21.6 1.0 C A:VAL46 3.5 21.7 1.0 CG A:ASP43 3.5 22.8 1.0 CB A:SER52 3.6 20.0 1.0 CA A:ASP43 3.7 17.4 1.0 C A:GLY48 3.7 21.6 1.0 OD2 A:ASP50 3.9 23.8 1.0 N A:SER52 3.9 18.4 1.0 N A:ASP50 4.0 18.5 1.0 CB A:VAL46 4.2 20.4 1.0 CA A:VAL46 4.2 21.0 1.0 CB A:ASP43 4.2 19.6 1.0 N A:GLY48 4.2 21.4 1.0 CA A:SER52 4.3 18.2 1.0 C A:ASN47 4.4 22.5 1.0 N A:VAL46 4.4 18.9 1.0 N A:CYS44 4.4 20.5 1.0 OD2 A:ASP43 4.5 21.6 1.0 N A:ASN47 4.5 23.6 1.0 N A:ILE53 4.6 20.7 1.0 N A:ALA51 4.6 19.7 1.0 CB A:ASP50 4.6 20.2 1.0 CA A:GLY48 4.6 23.6 1.0 N A:CYS49 4.6 21.7 1.0 OE1 A:GLU64 4.6 24.7 1.0 CA A:CYS49 4.7 22.2 1.0 O A:HIS42 4.7 21.8 1.0 CA A:ASP50 4.7 19.4 1.0 CB A:ASN47 4.7 23.6 1.0 OE2 A:GLU64 4.7 25.7 1.0 CA A:ASN47 4.7 22.6 1.0 O A:ASN47 4.8 26.9 1.0 CG1 A:VAL46 4.8 22.8 1.0 C A:ASP50 4.8 21.5 1.0 CA A:CYS44 4.9 20.7 1.0 C A:CYS49 4.9 24.9 1.0 C A:SER52 4.9 20.7 1.0 N A:ASP43 5.0 18.0 1.0 C A:ALA51 5.0 20.7 1.0

Calcium binding site 2 out of 2 in the Recombinant Ferric 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 Recombinant Ferric Horseradish Peroxidase C1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:20.9 occ:1.00 OD2 A:ASP222 2.2 24.8 1.0 O A:THR171 2.3 22.4 1.0 O A:THR225 2.4 20.8 1.0 O A:ILE228 2.4 22.3 1.0 OD1 A:ASP230 2.4 21.6 1.0 OG1 A:THR225 2.4 21.8 1.0 OG1 A:THR171 2.5 20.1 1.0 CG A:ASP222 3.3 23.1 1.0 C A:THR171 3.3 22.4 1.0 C A:THR225 3.4 22.1 1.0 CG A:ASP230 3.4 22.8 1.0 CB A:THR225 3.5 23.4 1.0 C A:ILE228 3.6 21.5 1.0 CB A:THR171 3.6 18.5 1.0 CA A:THR171 3.8 21.2 1.0 OD2 A:ASP230 3.8 24.8 1.0 CB A:ASP222 3.8 22.2 1.0 CA A:THR225 3.9 24.7 1.0 N A:ASP230 4.2 22.6 1.0 OD1 A:ASP222 4.3 22.6 1.0 N A:THR225 4.3 24.5 1.0 N A:ILE228 4.3 24.8 1.0 CG2 A:THR171 4.3 21.5 1.0 CA A:ILE228 4.4 22.5 1.0 N A:PHE172 4.5 20.6 1.0 N A:PRO226 4.5 22.4 1.0 CB A:LYS232 4.6 21.8 1.0 O A:ASP230 4.6 22.1 1.0 N A:PHE229 4.6 21.6 1.0 CB A:ILE228 4.6 25.9 1.0 CB A:ASP230 4.7 23.7 1.0 CA A:PHE229 4.8 21.0 1.0 CA A:ASP230 4.8 22.1 1.0 CG2 A:THR225 4.8 26.9 1.0 CA A:PRO226 4.8 24.4 1.0 C A:ASP230 4.9 21.2 1.0 C A:PHE229 4.9 21.6 1.0 C A:PRO226 4.9 23.9 1.0 CA A:PHE172 5.0 21.9 1.0 CG A:LYS232 5.0 26.9 1.0

M.L.Nesa, S.K.Mandal, C.Toelzer, D.Humer, P.C.E.Moody, I.Berger, O.Spadiut, E.L.Raven. Crystal Structure of Ferric Recombinant Horseradish Peroxidase. J.Biol.Inorg.Chem. 2025.
ISSN: ESSN 1432-1327
PubMed: 40053124
DOI: 10.1007/S00775-025-02103-2