Calcium in PDB 1gw2: Recombinant Horseradish Peroxidase C1A THR171SER in Complex with Ferulic Acid

All present enzymatic activity of Recombinant Horseradish Peroxidase C1A THR171SER in Complex with Ferulic Acid:
1.11.1.7;

The structure of Recombinant Horseradish Peroxidase C1A THR171SER in Complex with Ferulic Acid, PDB code: 1gw2 was solved by A.Henriksen, K.Meno, N.Brissett, M.Gajhede, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.95 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.192, 67.000, 117.073, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 21.1

The structure of Recombinant Horseradish Peroxidase C1A THR171SER in Complex with Ferulic Acid also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the Recombinant Horseradish Peroxidase C1A THR171SER in Complex with Ferulic Acid (pdb code 1gw2). 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 Horseradish Peroxidase C1A THR171SER in Complex with Ferulic Acid, PDB code: 1gw2:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Recombinant Horseradish Peroxidase C1A THR171SER in Complex with Ferulic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Recombinant Horseradish Peroxidase C1A THR171SER in Complex with Ferulic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:5.1 occ:1.00 O A:ASP43 2.2 3.4 1.0 OD1 A:ASP50 2.3 1.0 1.0 OD1 A:ASP43 2.3 2.8 1.0 O A:VAL46 2.4 1.0 1.0 O A:HOH2114 2.4 1.0 1.0 OG A:SER52 2.5 1.0 1.0 O A:GLY48 2.5 3.0 1.0 C A:ASP43 3.2 3.3 1.0 CG A:ASP50 3.4 2.6 1.0 CG A:ASP43 3.5 6.1 1.0 C A:VAL46 3.5 1.6 1.0 CA A:ASP43 3.7 3.4 1.0 CB A:SER52 3.7 1.3 1.0 C A:GLY48 3.7 3.5 1.0 N A:ASP50 3.9 4.3 1.0 OD2 A:ASP50 3.9 1.0 1.0 N A:SER52 4.0 2.1 1.0 CB A:VAL46 4.2 3.1 1.0 CB A:ASP43 4.2 2.6 1.0 CA A:VAL46 4.2 1.6 1.0 N A:GLY48 4.3 4.3 1.0 N A:CYS44 4.3 2.5 1.0 N A:VAL46 4.3 1.0 1.0 CA A:SER52 4.4 2.1 1.0 OD2 A:ASP43 4.4 7.1 1.0 C A:ASN47 4.4 5.5 1.0 N A:ILE53 4.5 2.8 1.0 N A:ASN47 4.5 3.2 1.0 N A:ALA51 4.5 4.6 1.0 CB A:ASP50 4.6 2.0 1.0 CA A:GLY48 4.6 3.9 1.0 N A:CYS49 4.6 3.2 1.0 OE1 A:GLU64 4.6 1.1 1.0 CB A:ASN47 4.6 6.5 1.0 CA A:CYS49 4.6 4.5 1.0 CA A:ASP50 4.6 4.4 1.0 OE2 A:GLU64 4.7 4.0 1.0 O A:HIS42 4.7 5.5 1.0 CA A:ASN47 4.8 5.3 1.0 CA A:CYS44 4.8 2.8 1.0 C A:ASP50 4.8 4.2 1.0 C A:CYS49 4.8 5.8 1.0 O A:ASN47 4.8 7.1 1.0 C A:SER52 4.9 2.4 1.0 CG1 A:VAL46 4.9 1.5 1.0 N A:ASP43 5.0 3.5 1.0

Calcium binding site 2 out of 2 in the Recombinant Horseradish Peroxidase C1A THR171SER in Complex with Ferulic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Recombinant Horseradish Peroxidase C1A THR171SER in Complex with Ferulic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:6.1 occ:1.00 O A:SER171 2.3 5.4 1.0 O A:ILE228 2.3 4.4 1.0 OD1 A:ASP222 2.4 5.5 1.0 OG1 A:THR225 2.4 5.0 1.0 OD2 A:ASP230 2.4 4.9 1.0 O A:THR225 2.5 4.7 1.0 OG A:SER171 2.5 6.3 1.0 C A:SER171 3.3 4.3 1.0 CG A:ASP230 3.4 4.5 1.0 CB A:THR225 3.4 4.3 1.0 CG A:ASP222 3.4 4.8 1.0 C A:THR225 3.4 3.7 1.0 C A:ILE228 3.5 5.5 1.0 CB A:SER171 3.6 4.2 1.0 OD1 A:ASP230 3.7 5.6 1.0 CA A:SER171 3.7 4.7 1.0 CA A:THR225 3.9 4.0 1.0 CB A:ASP222 3.9 3.3 1.0 N A:ASP230 4.0 5.1 1.0 N A:THR225 4.2 3.7 1.0 N A:ILE228 4.3 5.2 1.0 CA A:ILE228 4.3 5.2 1.0 N A:PHE172 4.5 4.0 1.0 OD2 A:ASP222 4.5 5.2 1.0 N A:PHE229 4.5 5.4 1.0 O A:ASP230 4.6 5.8 1.0 CB A:ILE228 4.6 5.3 1.0 CB A:LYS232 4.6 5.7 1.0 N A:PRO226 4.6 4.9 1.0 CB A:ASP230 4.6 5.3 1.0 CA A:PHE229 4.6 6.0 1.0 CG2 A:THR225 4.7 4.8 1.0 C A:PHE229 4.7 6.1 1.0 CA A:ASP230 4.8 5.5 1.0 C A:ASP230 4.9 5.7 1.0 CA A:PHE172 5.0 4.4 1.0

A.Henriksen, K.Meno, N.Brissett, M.Gajhede. Hrpc Heme Crevice Architecture To Be Published.