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Calcium in PDB 1h5j: X-Ray Induced Reduction of Horseradish Peroxidase C1A Compound III (67-78% Dose)

Enzymatic activity of X-Ray Induced Reduction of Horseradish Peroxidase C1A Compound III (67-78% Dose)

All present enzymatic activity of X-Ray Induced Reduction of Horseradish Peroxidase C1A Compound III (67-78% Dose):
1.11.1.7;

Protein crystallography data

The structure of X-Ray Induced Reduction of Horseradish Peroxidase C1A Compound III (67-78% Dose), PDB code: 1h5j was solved by G.I.Berglund, G.H.Carlsson, J.Hajdu, A.T.Smith, H.Szoke, A.Henriksen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.86 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 40.318, 67.392, 117.467, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 22.1

Other elements in 1h5j:

The structure of X-Ray Induced Reduction of Horseradish Peroxidase C1A Compound III (67-78% Dose) also contains other interesting chemical elements:

Iron (Fe) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Induced Reduction of Horseradish Peroxidase C1A Compound III (67-78% Dose) (pdb code 1h5j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Induced Reduction of Horseradish Peroxidase C1A Compound III (67-78% Dose), PDB code: 1h5j:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1h5j

Go back to Calcium Binding Sites List in 1h5j
Calcium binding site 1 out of 2 in the X-Ray Induced Reduction of Horseradish Peroxidase C1A Compound III (67-78% Dose)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Induced Reduction of Horseradish Peroxidase C1A Compound III (67-78% Dose) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:8.7
occ:1.00
O A:ASP43 2.3 9.3 1.0
O A:VAL46 2.3 9.9 1.0
OD1 A:ASP43 2.4 10.8 1.0
OD1 A:ASP50 2.4 10.9 1.0
O A:HOH2106 2.5 8.5 1.0
OG A:SER52 2.5 9.1 1.0
O A:GLY48 2.5 9.8 1.0
C A:ASP43 3.2 8.4 1.0
C A:VAL46 3.5 9.3 1.0
CG A:ASP50 3.5 11.3 1.0
CG A:ASP43 3.5 10.3 1.0
CB A:SER52 3.6 8.9 1.0
CA A:ASP43 3.7 8.2 1.0
C A:GLY48 3.7 9.6 1.0
N A:SER52 3.9 9.9 1.0
N A:ASP50 4.0 9.7 1.0
OD2 A:ASP50 4.0 9.9 1.0
CB A:ASP43 4.2 9.2 1.0
CB A:VAL46 4.2 10.2 1.0
CA A:VAL46 4.2 9.9 1.0
N A:GLY48 4.3 10.2 1.0
CA A:SER52 4.3 8.6 1.0
N A:VAL46 4.3 9.1 1.0
N A:CYS44 4.4 9.8 1.0
OD2 A:ASP43 4.4 11.4 1.0
C A:ASN47 4.4 11.7 1.0
N A:ILE53 4.5 10.1 1.0
N A:ASN47 4.5 11.2 1.0
N A:ALA51 4.6 8.8 1.0
CA A:GLY48 4.6 9.5 1.0
N A:CYS49 4.6 9.1 1.0
CA A:CYS49 4.6 9.2 1.0
OE1 A:GLU64 4.6 9.6 1.0
CB A:ASP50 4.7 9.7 1.0
CA A:ASP50 4.7 9.5 1.0
CB A:ASN47 4.7 12.5 1.0
O A:HIS42 4.7 10.5 1.0
OE2 A:GLU64 4.7 10.7 1.0
CA A:ASN47 4.8 11.2 1.0
C A:ASP50 4.8 9.2 1.0
CA A:CYS44 4.8 8.7 1.0
C A:CYS49 4.8 10.4 1.0
O A:ASN47 4.8 12.1 1.0
C A:SER52 4.8 9.7 1.0
C A:ALA51 5.0 10.6 1.0
CG1 A:VAL46 5.0 10.3 1.0
N A:ASP43 5.0 9.8 1.0

Calcium binding site 2 out of 2 in 1h5j

Go back to Calcium Binding Sites List in 1h5j
Calcium binding site 2 out of 2 in the X-Ray Induced Reduction of Horseradish Peroxidase C1A Compound III (67-78% Dose)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Induced Reduction of Horseradish Peroxidase C1A Compound III (67-78% Dose) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:12.4
occ:1.00
O A:THR171 2.3 11.2 1.0
OD2 A:ASP222 2.3 13.9 1.0
OG1 A:THR225 2.4 13.1 1.0
O A:ILE228 2.4 13.4 1.0
OG1 A:THR171 2.5 13.1 1.0
OD1 A:ASP230 2.5 15.2 1.0
O A:THR225 2.5 13.5 1.0
C A:THR171 3.3 12.8 1.0
CG A:ASP222 3.4 10.8 1.0
CG A:ASP230 3.4 15.8 1.0
C A:THR225 3.5 13.1 1.0
CB A:THR225 3.5 13.8 1.0
C A:ILE228 3.6 14.2 1.0
CB A:THR171 3.6 11.9 1.0
OD2 A:ASP230 3.8 16.2 1.0
CA A:THR171 3.8 11.2 1.0
CB A:ASP222 3.9 11.2 1.0
CA A:THR225 4.0 13.0 1.0
N A:ASP230 4.1 14.8 1.0
CG2 A:THR171 4.2 12.3 1.0
N A:THR225 4.3 12.6 1.0
N A:ILE228 4.3 13.9 1.0
CA A:ILE228 4.3 14.2 1.0
OD1 A:ASP222 4.4 13.9 1.0
CB A:LYS232 4.5 16.1 1.0
N A:PHE172 4.5 12.8 1.0
CB A:ILE228 4.5 15.5 1.0
O A:ASP230 4.5 13.8 1.0
N A:PHE229 4.6 13.1 1.0
N A:PRO226 4.7 14.1 1.0
CB A:ASP230 4.7 14.9 1.0
CA A:PHE229 4.7 13.2 1.0
CG2 A:THR225 4.8 15.2 1.0
CA A:ASP230 4.8 14.5 1.0
CG A:LYS232 4.8 19.2 1.0
C A:PHE229 4.9 14.3 1.0
C A:ASP230 4.9 15.1 1.0
CA A:PHE172 4.9 11.9 1.0
CB A:PHE172 5.0 11.6 1.0

Reference:

G.I.Berglund, G.H.Carlsson, A.T.Smith, H.Szoke, A.Henriksen, J.Hajdu. The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature V. 417 463 2002.
ISSN: ISSN 0028-0836
PubMed: 12024218
DOI: 10.1038/417463A
Page generated: Sat Dec 12 02:58:59 2020

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