Calcium in PDB 1w4w: Ferric Horseradish Peroxidase C1A in Complex with Formate

All present enzymatic activity of Ferric Horseradish Peroxidase C1A in Complex with Formate:
1.11.1.7;

The structure of Ferric Horseradish Peroxidase C1A in Complex with Formate, PDB code: 1w4w was solved by G.H.Carlsson, P.Nicholls, D.Svistunenko, G.I.Berglund, J.Hajdu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.87 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.330, 68.302, 117.048, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 21.5

The structure of Ferric Horseradish Peroxidase C1A in Complex with Formate also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the Ferric Horseradish Peroxidase C1A in Complex with Formate (pdb code 1w4w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Ferric Horseradish Peroxidase C1A in Complex with Formate, PDB code: 1w4w:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Ferric Horseradish Peroxidase C1A in Complex with Formate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ferric Horseradish Peroxidase C1A in Complex with Formate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1308 b:7.2 occ:1.00 O A:VAL46 2.4 8.1 1.0 O A:ASP43 2.5 9.9 1.0 OD1 A:ASP50 2.5 9.1 1.0 OD1 A:ASP43 2.5 9.6 1.0 O A:HOH2091 2.5 7.8 1.0 O A:GLY48 2.6 8.9 1.0 OG A:SER52 2.6 8.1 1.0 C A:ASP43 3.3 8.5 1.0 CG A:ASP50 3.5 10.5 1.0 C A:VAL46 3.5 8.0 1.0 CB A:SER52 3.6 8.7 1.0 CG A:ASP43 3.6 11.7 1.0 CA A:ASP43 3.7 9.3 1.0 C A:GLY48 3.8 8.1 1.0 N A:SER52 3.9 9.2 1.0 N A:ASP50 4.0 8.2 1.0 OD2 A:ASP50 4.0 8.8 1.0 CB A:VAL46 4.2 8.0 1.0 CA A:SER52 4.3 9.3 1.0 CA A:VAL46 4.3 7.6 1.0 CB A:ASP43 4.3 9.8 1.0 N A:GLY48 4.3 7.9 1.0 N A:VAL46 4.4 8.3 1.0 C A:ASN47 4.4 8.2 1.0 N A:CYS44 4.5 8.1 1.0 N A:ILE53 4.5 9.4 1.0 OD2 A:ASP43 4.5 10.6 1.0 N A:ASN47 4.5 8.4 1.0 N A:ALA51 4.5 9.7 1.0 OE1 A:GLU64 4.6 8.3 1.0 CB A:ASN47 4.6 10.1 1.0 CA A:CYS49 4.6 8.1 1.0 CA A:GLY48 4.7 7.7 1.0 CB A:ASP50 4.7 9.8 1.0 N A:CYS49 4.7 8.6 1.0 OE2 A:GLU64 4.7 8.8 1.0 CA A:ASP50 4.7 9.2 1.0 O A:HIS42 4.7 8.7 1.0 CA A:ASN47 4.8 8.5 1.0 O A:ASN47 4.8 8.6 1.0 C A:ASP50 4.8 9.3 1.0 C A:SER52 4.8 9.2 1.0 C A:CYS49 4.9 9.5 1.0 CA A:CYS44 4.9 7.6 1.0 C A:ALA51 4.9 10.2 1.0 CG1 A:VAL46 4.9 9.7 1.0

Calcium binding site 2 out of 2 in the Ferric Horseradish Peroxidase C1A in Complex with Formate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Ferric Horseradish Peroxidase C1A in Complex with Formate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1309 b:11.2 occ:1.00 O A:THR171 2.4 11.6 1.0 O A:ILE228 2.5 13.6 1.0 OD2 A:ASP222 2.5 17.2 1.0 OG1 A:THR225 2.5 12.9 1.0 O A:THR225 2.6 14.2 1.0 OG1 A:THR171 2.6 13.6 1.0 OD1 A:ASP230 2.7 16.2 1.0 C A:THR171 3.4 12.5 1.0 CG A:ASP222 3.5 12.7 1.0 CG A:ASP230 3.5 16.2 1.0 C A:THR225 3.6 13.2 1.0 CB A:THR225 3.6 13.0 1.0 C A:ILE228 3.7 14.0 1.0 CB A:THR171 3.7 12.2 1.0 OD2 A:ASP230 3.7 15.7 1.0 CA A:THR171 3.8 11.5 1.0 CB A:ASP222 3.9 11.3 1.0 CA A:THR225 4.0 13.0 1.0 N A:ASP230 4.2 14.3 1.0 CG2 A:THR171 4.3 12.1 1.0 N A:THR225 4.3 13.4 1.0 N A:ILE228 4.4 14.0 1.0 CB A:LYS232 4.4 15.2 1.0 CA A:ILE228 4.4 15.1 1.0 OD1 A:ASP222 4.5 13.4 1.0 O A:ASP230 4.6 14.4 1.0 N A:PHE172 4.6 12.6 1.0 CB A:ILE228 4.6 16.1 1.0 N A:PRO226 4.7 12.8 1.0 N A:PHE229 4.7 13.3 1.0 CB A:ASP230 4.7 14.7 1.0 CG A:LYS232 4.7 18.9 1.0 CA A:PHE229 4.8 13.7 1.0 CA A:ASP230 4.8 13.7 1.0 CG2 A:THR225 4.9 12.8 1.0 C A:PHE229 4.9 14.2 1.0 C A:ASP230 4.9 14.0 1.0 CA A:PHE172 5.0 12.1 1.0

G.H.Carlsson, P.Nicholls, D.Svistunenko, G.I.Berglund, J.Hajdu. Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide Biochemistry V. 44 635 2005.
ISSN: ISSN 0006-2960
PubMed: 15641789
DOI: 10.1021/BI0483211