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Calcium in PDB 1gx2: Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic Acid

Enzymatic activity of Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic Acid

All present enzymatic activity of Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic Acid:
1.11.1.7;

Protein crystallography data

The structure of Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic Acid, PDB code: 1gx2 was solved by K.Meno, M.Gajhede, A.Henriksen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.92 / 2.2
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 75.036, 62.298, 78.246, 90.00, 104.27, 90.00
R / Rfree (%) 17.8 / 19.7

Other elements in 1gx2:

The structure of Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic Acid also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic Acid (pdb code 1gx2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic Acid, PDB code: 1gx2:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 1gx2

Go back to Calcium Binding Sites List in 1gx2
Calcium binding site 1 out of 4 in the Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic 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 PHE209SER Complex with Benzhydroxamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1310

b:8.0
occ:1.00
 O A:ILE228 2.3 7.8 1.0
O A:THR171 2.4 8.3 1.0
OD1 A:ASP222 2.4 11.2 1.0
OD2 A:ASP230 2.4 14.8 1.0
OG1 A:THR225 2.4 9.4 1.0
O A:THR225 2.5 12.9 1.0
OG1 A:THR171 2.6 7.1 1.0
CG A:ASP230 3.4 14.4 1.0
C A:THR171 3.4 8.5 1.0
CG A:ASP222 3.4 12.9 1.0
C A:THR225 3.5 13.4 1.0
C A:ILE228 3.5 10.9 1.0
CB A:THR225 3.5 12.6 1.0
CB A:THR171 3.7 7.9 1.0
OD1 A:ASP230 3.8 16.3 1.0
CA A:THR171 3.9 7.0 1.0
CB A:ASP222 3.9 11.7 1.0
CA A:THR225 4.0 12.8 1.0
N A:ASP230 4.1 12.4 1.0
N A:ILE228 4.2 11.1 1.0
CG2 A:THR171 4.3 7.0 1.0
CA A:ILE228 4.3 9.9 1.0
N A:THR225 4.3 14.3 1.0
CB A:LYS232 4.5 14.2 1.0
OD2 A:ASP222 4.5 10.0 1.0
CB A:ILE228 4.5 12.1 1.0
N A:PHE229 4.6 10.2 1.0
N A:PHE172 4.6 8.0 1.0
O A:ASP230 4.6 12.5 1.0
N A:PRO226 4.6 12.9 1.0
CB A:ASP230 4.6 13.9 1.0
CA A:PHE229 4.7 10.7 1.0
CA A:ASP230 4.8 12.0 1.0
C A:PHE229 4.8 11.4 1.0
CG2 A:THR225 4.8 13.4 1.0
CG A:LYS232 4.9 17.5 1.0
C A:ASP230 4.9 11.9 1.0
CA A:PHE172 5.0 8.0 1.0

Calcium binding site 2 out of 4 in 1gx2

Go back to Calcium Binding Sites List in 1gx2
Calcium binding site 2 out of 4 in the Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic 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 PHE209SER Complex with Benzhydroxamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1311

b:8.3
occ:1.00
 OD1 A:ASP43 2.3 9.6 1.0
O A:ASP43 2.3 6.1 1.0
O A:VAL46 2.3 8.4 1.0
OD1 A:ASP50 2.4 6.5 1.0
O A:HOH2040 2.5 7.5 1.0
O A:GLY48 2.5 11.1 1.0
OG A:SER52 2.6 9.2 1.0
C A:ASP43 3.2 5.8 1.0
CG A:ASP50 3.4 8.3 1.0
CG A:ASP43 3.4 8.0 1.0
C A:VAL46 3.5 9.2 1.0
CB A:SER52 3.7 9.8 1.0
CA A:ASP43 3.7 5.3 1.0
C A:GLY48 3.7 10.1 1.0
OD2 A:ASP50 3.9 9.1 1.0
N A:ASP50 4.0 8.6 1.0
N A:SER52 4.0 9.7 1.0
CB A:VAL46 4.2 9.6 1.0
CB A:ASP43 4.2 5.3 1.0
CA A:VAL46 4.2 8.6 1.0
N A:GLY48 4.3 11.0 1.0
OD2 A:ASP43 4.4 7.7 1.0
N A:CYS44 4.4 4.8 1.0
N A:VAL46 4.4 8.2 1.0
C A:ASN47 4.4 11.8 1.0
CA A:SER52 4.4 10.6 1.0
N A:ASN47 4.5 9.5 1.0
N A:ILE53 4.6 9.1 1.0
CA A:CYS49 4.6 9.4 1.0
N A:CYS49 4.6 8.0 1.0
CA A:GLY48 4.6 10.3 1.0
N A:ALA51 4.6 8.1 1.0
CB A:ASP50 4.6 8.6 1.0
O A:ASN47 4.6 12.8 1.0
OE1 A:GLU64 4.7 10.5 1.0
CB A:ASN47 4.7 16.5 1.0
CA A:ASP50 4.7 7.8 1.0
OE2 A:GLU64 4.7 9.9 1.0
CA A:ASN47 4.8 11.8 1.0
CG1 A:VAL46 4.8 8.9 1.0
CA A:CYS44 4.8 6.6 1.0
C A:CYS49 4.8 9.1 1.0
C A:ASP50 4.8 8.0 1.0
O A:HIS42 4.9 6.6 1.0
C A:SER52 4.9 11.1 1.0

Calcium binding site 3 out of 4 in 1gx2

Go back to Calcium Binding Sites List in 1gx2
Calcium binding site 3 out of 4 in the Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1310

b:8.0
occ:1.00
 O B:ILE228 2.3 7.8 1.0
O B:THR171 2.4 8.3 1.0
OD1 B:ASP222 2.4 11.2 1.0
OD2 B:ASP230 2.4 14.8 1.0
OG1 B:THR225 2.4 9.4 1.0
O B:THR225 2.5 12.9 1.0
OG1 B:THR171 2.6 7.1 1.0
CG B:ASP230 3.4 14.4 1.0
C B:THR171 3.4 8.5 1.0
CG B:ASP222 3.4 12.9 1.0
C B:THR225 3.5 13.4 1.0
C B:ILE228 3.5 10.9 1.0
CB B:THR225 3.5 12.6 1.0
CB B:THR171 3.7 7.9 1.0
OD1 B:ASP230 3.8 16.3 1.0
CA B:THR171 3.9 7.0 1.0
CB B:ASP222 3.9 11.7 1.0
CA B:THR225 4.0 12.8 1.0
N B:ASP230 4.1 12.4 1.0
N B:ILE228 4.2 11.1 1.0
CG2 B:THR171 4.3 7.0 1.0
CA B:ILE228 4.3 9.9 1.0
N B:THR225 4.3 14.3 1.0
CB B:LYS232 4.5 14.2 1.0
OD2 B:ASP222 4.5 10.0 1.0
CB B:ILE228 4.5 12.1 1.0
N B:PHE229 4.6 10.2 1.0
N B:PHE172 4.6 8.0 1.0
N B:PRO226 4.6 12.9 1.0
O B:ASP230 4.6 12.5 1.0
CB B:ASP230 4.6 13.9 1.0
CA B:PHE229 4.7 10.7 1.0
CA B:ASP230 4.8 12.0 1.0
C B:PHE229 4.8 11.4 1.0
CG2 B:THR225 4.8 13.4 1.0
CG B:LYS232 4.9 17.5 1.0
C B:ASP230 4.9 11.9 1.0
CA B:PHE172 5.0 8.0 1.0

Calcium binding site 4 out of 4 in 1gx2

Go back to Calcium Binding Sites List in 1gx2
Calcium binding site 4 out of 4 in the Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Recombinant Horseradish Peroxidase PHE209SER Complex with Benzhydroxamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1311

b:8.3
occ:1.00
 OD1 B:ASP43 2.3 9.6 1.0
O B:ASP43 2.3 6.1 1.0
O B:VAL46 2.3 8.4 1.0
OD1 B:ASP50 2.4 6.5 1.0
O B:HOH2040 2.5 7.5 1.0
O B:GLY48 2.5 11.1 1.0
OG B:SER52 2.6 9.2 1.0
C B:ASP43 3.2 5.8 1.0
CG B:ASP50 3.4 8.3 1.0
CG B:ASP43 3.4 8.0 1.0
C B:VAL46 3.5 9.2 1.0
CB B:SER52 3.7 9.8 1.0
CA B:ASP43 3.7 5.3 1.0
C B:GLY48 3.7 10.1 1.0
OD2 B:ASP50 3.9 9.1 1.0
N B:ASP50 4.0 8.6 1.0
N B:SER52 4.0 9.7 1.0
CB B:VAL46 4.2 9.6 1.0
CB B:ASP43 4.2 5.3 1.0
CA B:VAL46 4.2 8.6 1.0
N B:GLY48 4.3 11.0 1.0
OD2 B:ASP43 4.4 7.7 1.0
N B:CYS44 4.4 4.8 1.0
N B:VAL46 4.4 8.2 1.0
C B:ASN47 4.4 11.8 1.0
CA B:SER52 4.4 10.6 1.0
N B:ASN47 4.5 9.5 1.0
N B:ILE53 4.6 9.1 1.0
CA B:CYS49 4.6 9.4 1.0
N B:CYS49 4.6 8.0 1.0
CA B:GLY48 4.6 10.3 1.0
N B:ALA51 4.6 8.1 1.0
CB B:ASP50 4.6 8.6 1.0
O B:ASN47 4.6 12.8 1.0
OE1 B:GLU64 4.7 10.5 1.0
CB B:ASN47 4.7 16.5 1.0
CA B:ASP50 4.7 7.8 1.0
OE2 B:GLU64 4.7 9.9 1.0
CA B:ASN47 4.8 11.8 1.0
CG1 B:VAL46 4.8 8.9 1.0
CA B:CYS44 4.8 6.6 1.0
C B:CYS49 4.8 9.1 1.0
C B:ASP50 4.8 8.0 1.0
O B:HIS42 4.9 6.6 1.0
C B:SER52 4.9 11.1 1.0

Reference:

A.Henriksen, N.Brissett, K.Meno, O.Mirza, M.Gajhede. Hrpc Heme Crevice Architecture To Be Published.
Page generated: Thu Jul 11 08:53:31 2024

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