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Calcium in PDB 2atj: Recombinant Horseradish Peroxidase Complex with Benzhydroxamic Acid

Enzymatic activity of Recombinant Horseradish Peroxidase Complex with Benzhydroxamic Acid

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

Protein crystallography data

The structure of Recombinant Horseradish Peroxidase Complex with Benzhydroxamic Acid, PDB code: 2atj was solved by A.Henriksen, D.J.Schuller, M.Gajhede, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 74.920, 62.250, 77.990, 90.00, 104.36, 90.00
R / Rfree (%) 17.6 / 19.8

Other elements in 2atj:

The structure of Recombinant Horseradish Peroxidase 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 Complex with Benzhydroxamic Acid (pdb code 2atj). 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 Complex with Benzhydroxamic Acid, PDB code: 2atj:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 2atj

Go back to Calcium Binding Sites List in 2atj
Calcium binding site 1 out of 4 in the Recombinant Horseradish Peroxidase 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 Complex with Benzhydroxamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca351

b:10.8
occ:1.00
 O A:ILE228 2.4 5.9 1.0
O A:THR171 2.4 8.2 1.0
OD2 A:ASP222 2.4 11.1 1.0
O A:THR225 2.5 11.6 1.0
OD1 A:ASP230 2.5 8.7 1.0
OG1 A:THR225 2.6 9.1 1.0
OG1 A:THR171 2.6 7.0 1.0
C A:THR171 3.4 8.4 1.0
CG A:ASP230 3.5 11.2 1.0
CG A:ASP222 3.5 11.6 1.0
C A:THR225 3.5 11.2 1.0
C A:ILE228 3.6 8.8 1.0
CB A:THR225 3.6 10.0 1.0
CB A:THR171 3.7 6.2 1.0
OD2 A:ASP230 3.8 11.2 1.0
CA A:THR171 3.9 7.3 1.0
CB A:ASP222 4.0 9.7 1.0
CA A:THR225 4.0 11.3 1.0
N A:ASP230 4.1 11.6 1.0
CG2 A:THR171 4.2 5.3 1.0
N A:ILE228 4.3 9.2 1.0
CA A:ILE228 4.3 9.1 1.0
N A:THR225 4.4 10.2 1.0
CB A:LYS232 4.4 12.8 1.0
OD1 A:ASP222 4.5 10.7 1.0
O A:ASP230 4.5 10.2 1.0
N A:PHE172 4.6 7.1 1.0
N A:PHE229 4.6 8.5 1.0
CB A:ILE228 4.6 11.0 1.0
N A:PRO226 4.7 11.8 1.0
CB A:ASP230 4.7 11.0 1.0
CA A:PHE229 4.7 9.2 1.0
CA A:ASP230 4.8 10.4 1.0
C A:PHE229 4.8 11.3 1.0
C A:ASP230 4.9 10.8 1.0
CG2 A:THR225 4.9 10.6 1.0
CA A:PHE172 5.0 7.4 1.0
CG A:LYS232 5.0 17.5 1.0

Calcium binding site 2 out of 4 in 2atj

Go back to Calcium Binding Sites List in 2atj
Calcium binding site 2 out of 4 in the Recombinant Horseradish Peroxidase 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 Complex with Benzhydroxamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca352

b:7.7
occ:1.00
 OD1 A:ASP50 2.4 7.3 1.0
O A:VAL46 2.4 5.9 1.0
O A:ASP43 2.5 6.9 1.0
OD1 A:ASP43 2.5 5.9 1.0
O A:GLY48 2.6 6.2 1.0
O A:HOH721 2.6 6.3 1.0
OG A:SER52 2.6 6.5 1.0
C A:ASP43 3.3 6.6 1.0
CG A:ASP50 3.4 9.9 1.0
C A:VAL46 3.6 5.6 1.0
CG A:ASP43 3.6 6.3 1.0
CB A:SER52 3.7 7.6 1.0
CA A:ASP43 3.7 4.4 1.0
C A:GLY48 3.8 7.7 1.0
OD2 A:ASP50 3.9 8.6 1.0
N A:SER52 3.9 9.0 1.0
N A:ASP50 4.0 8.7 1.0
CB A:VAL46 4.3 6.2 1.0
CB A:ASP43 4.3 4.6 1.0
CA A:VAL46 4.3 5.9 1.0
N A:GLY48 4.3 7.7 1.0
CA A:SER52 4.4 7.5 1.0
N A:CYS44 4.4 6.1 1.0
C A:ASN47 4.4 10.2 1.0
N A:VAL46 4.4 6.2 1.0
OD2 A:ASP43 4.5 8.6 1.0
N A:ALA51 4.5 6.1 1.0
N A:ILE53 4.6 7.0 1.0
N A:ASN47 4.6 6.6 1.0
CB A:ASP50 4.6 7.9 1.0
OE1 A:GLU64 4.7 8.7 1.0
CB A:ASN47 4.7 15.0 1.0
CA A:ASP50 4.7 7.9 1.0
CA A:GLY48 4.7 7.8 1.0
CA A:CYS49 4.7 8.2 1.0
N A:CYS49 4.7 6.8 1.0
O A:ASN47 4.7 10.6 1.0
OE2 A:GLU64 4.7 6.8 1.0
CA A:ASN47 4.8 10.2 1.0
O A:HIS42 4.8 5.7 1.0
C A:ASP50 4.8 8.1 1.0
CA A:CYS44 4.9 6.8 1.0
C A:CYS49 4.9 8.6 1.0
CG1 A:VAL46 4.9 6.3 1.0
C A:SER52 4.9 8.6 1.0

Calcium binding site 3 out of 4 in 2atj

Go back to Calcium Binding Sites List in 2atj
Calcium binding site 3 out of 4 in the Recombinant Horseradish Peroxidase 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 Complex with Benzhydroxamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca351

b:10.8
occ:1.00
 O B:ILE228 2.4 5.9 1.0
O B:THR171 2.4 8.2 1.0
OD2 B:ASP222 2.4 11.1 1.0
O B:THR225 2.5 11.6 1.0
OD1 B:ASP230 2.5 8.7 1.0
OG1 B:THR225 2.6 9.1 1.0
OG1 B:THR171 2.6 7.0 1.0
C B:THR171 3.4 8.4 1.0
CG B:ASP230 3.5 11.2 1.0
CG B:ASP222 3.5 11.6 1.0
C B:THR225 3.5 11.2 1.0
C B:ILE228 3.6 8.8 1.0
CB B:THR225 3.6 10.0 1.0
CB B:THR171 3.7 6.2 1.0
OD2 B:ASP230 3.8 11.2 1.0
CA B:THR171 3.9 7.3 1.0
CB B:ASP222 4.0 9.7 1.0
CA B:THR225 4.0 11.3 1.0
N B:ASP230 4.1 11.6 1.0
CG2 B:THR171 4.2 5.3 1.0
N B:ILE228 4.3 9.2 1.0
CA B:ILE228 4.3 9.1 1.0
N B:THR225 4.4 10.2 1.0
CB B:LYS232 4.4 12.8 1.0
OD1 B:ASP222 4.5 10.7 1.0
O B:ASP230 4.5 10.2 1.0
N B:PHE172 4.6 7.1 1.0
N B:PHE229 4.6 8.5 1.0
CB B:ILE228 4.6 11.0 1.0
N B:PRO226 4.7 11.8 1.0
CB B:ASP230 4.7 11.0 1.0
CA B:PHE229 4.7 9.2 1.0
CA B:ASP230 4.8 10.4 1.0
C B:PHE229 4.8 11.3 1.0
C B:ASP230 4.9 10.8 1.0
CG2 B:THR225 4.9 10.6 1.0
CA B:PHE172 5.0 7.4 1.0
CG B:LYS232 5.0 17.5 1.0

Calcium binding site 4 out of 4 in 2atj

Go back to Calcium Binding Sites List in 2atj
Calcium binding site 4 out of 4 in the Recombinant Horseradish Peroxidase 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 Complex with Benzhydroxamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca352

b:7.7
occ:1.00
 OD1 B:ASP50 2.4 7.3 1.0
O B:VAL46 2.4 5.9 1.0
O B:ASP43 2.5 6.9 1.0
OD1 B:ASP43 2.5 5.9 1.0
O B:GLY48 2.6 6.2 1.0
O B:HOH721 2.6 6.3 1.0
OG B:SER52 2.6 6.5 1.0
C B:ASP43 3.3 6.6 1.0
CG B:ASP50 3.4 9.9 1.0
C B:VAL46 3.6 5.6 1.0
CG B:ASP43 3.6 6.3 1.0
CB B:SER52 3.7 7.6 1.0
CA B:ASP43 3.7 4.4 1.0
C B:GLY48 3.8 7.7 1.0
OD2 B:ASP50 3.9 8.6 1.0
N B:SER52 3.9 9.0 1.0
N B:ASP50 4.0 8.7 1.0
CB B:VAL46 4.3 6.2 1.0
CB B:ASP43 4.3 4.6 1.0
CA B:VAL46 4.3 5.9 1.0
N B:GLY48 4.3 7.7 1.0
CA B:SER52 4.4 7.5 1.0
N B:CYS44 4.4 6.1 1.0
C B:ASN47 4.4 10.2 1.0
N B:VAL46 4.4 6.2 1.0
OD2 B:ASP43 4.5 8.6 1.0
N B:ALA51 4.5 6.1 1.0
N B:ILE53 4.6 7.0 1.0
N B:ASN47 4.6 6.6 1.0
CB B:ASP50 4.6 7.9 1.0
OE1 B:GLU64 4.7 8.7 1.0
CB B:ASN47 4.7 15.0 1.0
CA B:ASP50 4.7 7.9 1.0
CA B:GLY48 4.7 7.8 1.0
CA B:CYS49 4.7 8.2 1.0
N B:CYS49 4.7 6.8 1.0
O B:ASN47 4.7 10.6 1.0
OE2 B:GLU64 4.7 6.8 1.0
CA B:ASN47 4.8 10.2 1.0
O B:HIS42 4.8 5.7 1.0
C B:ASP50 4.8 8.1 1.0
CA B:CYS44 4.9 6.8 1.0
C B:CYS49 4.9 8.6 1.0
CG1 B:VAL46 4.9 6.3 1.0
C B:SER52 4.9 8.6 1.0

Reference:

A.Henriksen, D.J.Schuller, K.Meno, K.G.Welinder, A.T.Smith, M.Gajhede. Structural Interactions Between Horseradish Peroxidase C and the Substrate Benzhydroxamic Acid Determined By X-Ray Crystallography. Biochemistry V. 37 8054 1998.
ISSN: ISSN 0006-2960
PubMed: 9609699
DOI: 10.1021/BI980234J
Page generated: Sat Dec 12 03:31:39 2020

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