Calcium in PDB 1atj: Recombinant Horseradish Peroxidase C1A
Enzymatic activity of Recombinant Horseradish Peroxidase C1A
All present enzymatic activity of Recombinant Horseradish Peroxidase C1A:
1.11.1.7;
Protein crystallography data
The structure of Recombinant Horseradish Peroxidase C1A, PDB code: 1atj
was solved by
M.Gajhede,
D.J.Schuller,
A.Henriksen,
A.T.Smith,
T.L.Poulos,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
100.00 /
2.15
|
|
Space group
|
P 31 1 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
159.170,
159.170,
114.270,
90.00,
90.00,
120.00
|
|
R / Rfree (%)
|
22.2 /
24.2
|
Other elements in 1atj:
The structure of Recombinant Horseradish Peroxidase C1A also contains other interesting chemical elements:
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Calcium atom in the Recombinant Horseradish Peroxidase C1A
(pdb code 1atj). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the
Recombinant Horseradish Peroxidase C1A, PDB code: 1atj:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 12 in 1atj
Go back to
Calcium Binding Sites List in 1atj
Calcium binding site 1 out
of 12 in the Recombinant Horseradish Peroxidase C1A
 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 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca351
b:22.6
occ:1.00
|
OD2
|
A:ASP222
|
2.3
|
20.8
|
1.0
|
|
O
|
A:ILE228
|
2.3
|
22.7
|
1.0
|
|
O
|
A:THR171
|
2.4
|
22.6
|
1.0
|
|
O
|
A:THR225
|
2.4
|
26.7
|
1.0
|
|
OG1
|
A:THR225
|
2.5
|
27.4
|
1.0
|
|
OD1
|
A:ASP230
|
2.5
|
21.3
|
1.0
|
|
OG1
|
A:THR171
|
2.6
|
20.4
|
1.0
|
|
HG1
|
A:THR225
|
3.2
|
0.0
|
1.0
|
|
HG1
|
A:THR171
|
3.3
|
0.0
|
1.0
|
|
CG
|
A:ASP230
|
3.4
|
25.0
|
1.0
|
|
CG
|
A:ASP222
|
3.4
|
22.6
|
1.0
|
|
C
|
A:THR171
|
3.4
|
21.4
|
1.0
|
|
C
|
A:THR225
|
3.4
|
26.7
|
1.0
|
|
C
|
A:ILE228
|
3.5
|
22.5
|
1.0
|
|
CB
|
A:THR225
|
3.5
|
26.1
|
1.0
|
|
H
|
A:ASP230
|
3.5
|
0.0
|
1.0
|
|
OD2
|
A:ASP230
|
3.6
|
24.9
|
1.0
|
|
H
|
A:ILE228
|
3.6
|
0.0
|
1.0
|
|
CB
|
A:THR171
|
3.7
|
20.6
|
1.0
|
|
H
|
A:THR225
|
3.8
|
0.0
|
1.0
|
|
CA
|
A:THR171
|
3.9
|
19.3
|
1.0
|
|
CA
|
A:THR225
|
4.0
|
27.7
|
1.0
|
|
CB
|
A:ASP222
|
4.0
|
23.6
|
1.0
|
|
N
|
A:ILE228
|
4.1
|
22.9
|
1.0
|
|
N
|
A:ASP230
|
4.2
|
24.3
|
1.0
|
|
CA
|
A:ILE228
|
4.2
|
22.7
|
1.0
|
|
N
|
A:THR225
|
4.3
|
30.4
|
1.0
|
|
CG2
|
A:THR171
|
4.3
|
16.1
|
1.0
|
|
OD1
|
A:ASP222
|
4.4
|
24.5
|
1.0
|
|
O
|
A:ASP230
|
4.5
|
27.3
|
1.0
|
|
CB
|
A:ILE228
|
4.5
|
23.8
|
1.0
|
|
N
|
A:PHE229
|
4.5
|
22.3
|
1.0
|
|
CB
|
A:LYS232
|
4.6
|
28.8
|
1.0
|
|
H
|
A:LYS232
|
4.6
|
0.0
|
1.0
|
|
N
|
A:PHE172
|
4.6
|
21.9
|
1.0
|
|
H
|
A:TYR233
|
4.6
|
0.0
|
1.0
|
|
N
|
A:PRO226
|
4.6
|
26.9
|
1.0
|
|
CB
|
A:ASP230
|
4.7
|
23.5
|
1.0
|
|
CA
|
A:PHE229
|
4.7
|
23.3
|
1.0
|
|
CG2
|
A:THR225
|
4.7
|
26.2
|
1.0
|
|
C
|
A:PHE229
|
4.9
|
24.6
|
1.0
|
|
CA
|
A:ASP230
|
4.9
|
25.1
|
1.0
|
|
C
|
A:ASP230
|
4.9
|
26.5
|
1.0
|
|
CG
|
A:LYS232
|
5.0
|
31.6
|
1.0
|
|
Calcium binding site 2 out
of 12 in 1atj
Go back to
Calcium Binding Sites List in 1atj
Calcium binding site 2 out
of 12 in the Recombinant Horseradish Peroxidase C1A
 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 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca352
b:13.4
occ:1.00
|
OD1
|
A:ASP50
|
2.3
|
11.9
|
1.0
|
|
O
|
A:VAL46
|
2.3
|
11.3
|
1.0
|
|
O
|
A:ASP43
|
2.4
|
11.9
|
1.0
|
|
OD1
|
A:ASP43
|
2.4
|
13.6
|
1.0
|
|
O
|
A:HOH366
|
2.4
|
11.8
|
1.0
|
|
OG
|
A:SER52
|
2.5
|
10.3
|
1.0
|
|
O
|
A:GLY48
|
2.6
|
11.4
|
1.0
|
|
HG
|
A:SER52
|
3.0
|
0.0
|
1.0
|
|
H
|
A:ASP50
|
3.2
|
0.0
|
1.0
|
|
H
|
A:SER52
|
3.2
|
0.0
|
1.0
|
|
C
|
A:ASP43
|
3.3
|
12.8
|
1.0
|
|
CG
|
A:ASP50
|
3.4
|
14.6
|
1.0
|
|
C
|
A:VAL46
|
3.5
|
11.9
|
1.0
|
|
CG
|
A:ASP43
|
3.6
|
10.1
|
1.0
|
|
CB
|
A:SER52
|
3.7
|
9.8
|
1.0
|
|
H
|
A:ILE53
|
3.7
|
0.0
|
1.0
|
|
OD2
|
A:ASP50
|
3.8
|
15.7
|
1.0
|
|
H
|
A:VAL46
|
3.8
|
0.0
|
1.0
|
|
C
|
A:GLY48
|
3.8
|
12.1
|
1.0
|
|
CA
|
A:ASP43
|
3.8
|
9.6
|
1.0
|
|
N
|
A:SER52
|
3.9
|
12.9
|
1.0
|
|
N
|
A:ASP50
|
4.1
|
10.9
|
1.0
|
|
CA
|
A:VAL46
|
4.3
|
10.8
|
1.0
|
|
CB
|
A:VAL46
|
4.3
|
11.3
|
1.0
|
|
CA
|
A:SER52
|
4.3
|
12.3
|
1.0
|
|
CB
|
A:ASP43
|
4.3
|
7.8
|
1.0
|
|
N
|
A:VAL46
|
4.4
|
13.2
|
1.0
|
|
H
|
A:ALA51
|
4.4
|
0.0
|
1.0
|
|
N
|
A:GLY48
|
4.4
|
13.0
|
1.0
|
|
C
|
A:ASN47
|
4.4
|
14.7
|
1.0
|
|
N
|
A:CYS44
|
4.4
|
12.2
|
1.0
|
|
N
|
A:ILE53
|
4.4
|
13.9
|
1.0
|
|
OD2
|
A:ASP43
|
4.5
|
10.2
|
1.0
|
|
N
|
A:ASN47
|
4.5
|
12.8
|
1.0
|
|
N
|
A:ALA51
|
4.6
|
11.9
|
1.0
|
|
OE2
|
A:GLU64
|
4.6
|
12.5
|
1.0
|
|
CB
|
A:ASP50
|
4.6
|
11.4
|
1.0
|
|
H
|
A:GLY48
|
4.7
|
0.0
|
1.0
|
|
O
|
A:ASN47
|
4.7
|
15.2
|
1.0
|
|
OE1
|
A:GLU64
|
4.7
|
14.4
|
1.0
|
|
N
|
A:CYS49
|
4.7
|
11.9
|
1.0
|
|
CA
|
A:CYS49
|
4.7
|
12.5
|
1.0
|
|
CA
|
A:GLY48
|
4.8
|
11.9
|
1.0
|
|
CA
|
A:ASP50
|
4.8
|
10.7
|
1.0
|
|
CA
|
A:ASN47
|
4.8
|
13.2
|
1.0
|
|
O
|
A:HIS42
|
4.8
|
12.9
|
1.0
|
|
CA
|
A:CYS44
|
4.8
|
14.6
|
1.0
|
|
C
|
A:SER52
|
4.8
|
14.8
|
1.0
|
|
C
|
A:ASP50
|
4.8
|
12.0
|
1.0
|
|
CB
|
A:ASN47
|
4.9
|
15.3
|
1.0
|
|
C
|
A:CYS49
|
5.0
|
12.0
|
1.0
|
|
C
|
A:ALA51
|
5.0
|
12.4
|
1.0
|
|
CG1
|
A:VAL46
|
5.0
|
11.4
|
1.0
|
|
Calcium binding site 3 out
of 12 in 1atj
Go back to
Calcium Binding Sites List in 1atj
Calcium binding site 3 out
of 12 in the Recombinant Horseradish Peroxidase C1A
 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 C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca351
b:22.6
occ:1.00
|
OD2
|
B:ASP222
|
2.3
|
20.8
|
1.0
|
|
O
|
B:ILE228
|
2.3
|
22.7
|
1.0
|
|
O
|
B:THR171
|
2.4
|
22.6
|
1.0
|
|
O
|
B:THR225
|
2.4
|
26.7
|
1.0
|
|
OG1
|
B:THR225
|
2.5
|
27.4
|
1.0
|
|
OD1
|
B:ASP230
|
2.5
|
21.3
|
1.0
|
|
OG1
|
B:THR171
|
2.6
|
20.4
|
1.0
|
|
HG1
|
B:THR225
|
3.2
|
0.0
|
1.0
|
|
HG1
|
B:THR171
|
3.3
|
0.0
|
1.0
|
|
CG
|
B:ASP230
|
3.4
|
25.0
|
1.0
|
|
CG
|
B:ASP222
|
3.4
|
22.6
|
1.0
|
|
C
|
B:THR171
|
3.4
|
21.4
|
1.0
|
|
C
|
B:THR225
|
3.4
|
26.7
|
1.0
|
|
C
|
B:ILE228
|
3.5
|
22.5
|
1.0
|
|
CB
|
B:THR225
|
3.5
|
26.1
|
1.0
|
|
H
|
B:ASP230
|
3.5
|
0.0
|
1.0
|
|
OD2
|
B:ASP230
|
3.6
|
24.9
|
1.0
|
|
H
|
B:ILE228
|
3.6
|
0.0
|
1.0
|
|
CB
|
B:THR171
|
3.7
|
20.6
|
1.0
|
|
H
|
B:THR225
|
3.8
|
0.0
|
1.0
|
|
CA
|
B:THR171
|
3.9
|
19.3
|
1.0
|
|
CA
|
B:THR225
|
4.0
|
27.7
|
1.0
|
|
CB
|
B:ASP222
|
4.0
|
23.6
|
1.0
|
|
N
|
B:ILE228
|
4.1
|
22.9
|
1.0
|
|
N
|
B:ASP230
|
4.2
|
24.3
|
1.0
|
|
CA
|
B:ILE228
|
4.2
|
22.7
|
1.0
|
|
N
|
B:THR225
|
4.3
|
30.4
|
1.0
|
|
CG2
|
B:THR171
|
4.3
|
16.1
|
1.0
|
|
OD1
|
B:ASP222
|
4.4
|
24.5
|
1.0
|
|
O
|
B:ASP230
|
4.5
|
27.3
|
1.0
|
|
CB
|
B:ILE228
|
4.5
|
23.8
|
1.0
|
|
N
|
B:PHE229
|
4.5
|
22.3
|
1.0
|
|
CB
|
B:LYS232
|
4.6
|
28.8
|
1.0
|
|
H
|
B:LYS232
|
4.6
|
0.0
|
1.0
|
|
N
|
B:PHE172
|
4.6
|
21.9
|
1.0
|
|
H
|
B:TYR233
|
4.6
|
0.0
|
1.0
|
|
N
|
B:PRO226
|
4.6
|
26.9
|
1.0
|
|
CB
|
B:ASP230
|
4.7
|
23.5
|
1.0
|
|
CA
|
B:PHE229
|
4.7
|
23.3
|
1.0
|
|
CG2
|
B:THR225
|
4.7
|
26.2
|
1.0
|
|
C
|
B:PHE229
|
4.9
|
24.6
|
1.0
|
|
CA
|
B:ASP230
|
4.9
|
25.1
|
1.0
|
|
C
|
B:ASP230
|
4.9
|
26.5
|
1.0
|
|
CG
|
B:LYS232
|
5.0
|
31.6
|
1.0
|
|
Calcium binding site 4 out
of 12 in 1atj
Go back to
Calcium Binding Sites List in 1atj
Calcium binding site 4 out
of 12 in the Recombinant Horseradish Peroxidase C1A
 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 C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca352
b:13.4
occ:1.00
|
OD1
|
B:ASP50
|
2.3
|
11.9
|
1.0
|
|
O
|
B:VAL46
|
2.3
|
11.3
|
1.0
|
|
O
|
B:ASP43
|
2.4
|
11.9
|
1.0
|
|
OD1
|
B:ASP43
|
2.4
|
13.6
|
1.0
|
|
O
|
B:HOH368
|
2.4
|
11.8
|
1.0
|
|
OG
|
B:SER52
|
2.5
|
10.3
|
1.0
|
|
O
|
B:GLY48
|
2.6
|
11.4
|
1.0
|
|
HG
|
B:SER52
|
3.0
|
0.0
|
1.0
|
|
H
|
B:ASP50
|
3.2
|
0.0
|
1.0
|
|
H
|
B:SER52
|
3.2
|
0.0
|
1.0
|
|
C
|
B:ASP43
|
3.3
|
12.8
|
1.0
|
|
CG
|
B:ASP50
|
3.4
|
14.6
|
1.0
|
|
C
|
B:VAL46
|
3.5
|
11.9
|
1.0
|
|
CG
|
B:ASP43
|
3.6
|
10.1
|
1.0
|
|
CB
|
B:SER52
|
3.7
|
9.8
|
1.0
|
|
H
|
B:ILE53
|
3.7
|
0.0
|
1.0
|
|
OD2
|
B:ASP50
|
3.8
|
15.7
|
1.0
|
|
H
|
B:VAL46
|
3.8
|
0.0
|
1.0
|
|
C
|
B:GLY48
|
3.8
|
12.1
|
1.0
|
|
CA
|
B:ASP43
|
3.8
|
9.6
|
1.0
|
|
N
|
B:SER52
|
3.9
|
12.9
|
1.0
|
|
N
|
B:ASP50
|
4.1
|
10.9
|
1.0
|
|
CA
|
B:VAL46
|
4.3
|
10.8
|
1.0
|
|
CB
|
B:VAL46
|
4.3
|
11.3
|
1.0
|
|
CA
|
B:SER52
|
4.3
|
12.3
|
1.0
|
|
CB
|
B:ASP43
|
4.3
|
7.8
|
1.0
|
|
N
|
B:VAL46
|
4.4
|
13.2
|
1.0
|
|
H
|
B:ALA51
|
4.4
|
0.0
|
1.0
|
|
N
|
B:GLY48
|
4.4
|
13.0
|
1.0
|
|
C
|
B:ASN47
|
4.4
|
14.7
|
1.0
|
|
N
|
B:CYS44
|
4.4
|
12.2
|
1.0
|
|
N
|
B:ILE53
|
4.4
|
13.9
|
1.0
|
|
OD2
|
B:ASP43
|
4.5
|
10.2
|
1.0
|
|
N
|
B:ASN47
|
4.5
|
12.8
|
1.0
|
|
N
|
B:ALA51
|
4.6
|
11.9
|
1.0
|
|
OE2
|
B:GLU64
|
4.6
|
12.5
|
1.0
|
|
CB
|
B:ASP50
|
4.6
|
11.4
|
1.0
|
|
H
|
B:GLY48
|
4.7
|
0.0
|
1.0
|
|
O
|
B:ASN47
|
4.7
|
15.2
|
1.0
|
|
OE1
|
B:GLU64
|
4.7
|
14.4
|
1.0
|
|
N
|
B:CYS49
|
4.7
|
11.9
|
1.0
|
|
CA
|
B:CYS49
|
4.7
|
12.5
|
1.0
|
|
CA
|
B:GLY48
|
4.8
|
11.9
|
1.0
|
|
CA
|
B:ASP50
|
4.8
|
10.7
|
1.0
|
|
CA
|
B:ASN47
|
4.8
|
13.2
|
1.0
|
|
O
|
B:HIS42
|
4.8
|
12.9
|
1.0
|
|
CA
|
B:CYS44
|
4.8
|
14.6
|
1.0
|
|
C
|
B:SER52
|
4.8
|
14.8
|
1.0
|
|
C
|
B:ASP50
|
4.8
|
12.0
|
1.0
|
|
CB
|
B:ASN47
|
4.9
|
15.3
|
1.0
|
|
C
|
B:CYS49
|
5.0
|
12.0
|
1.0
|
|
C
|
B:ALA51
|
5.0
|
12.4
|
1.0
|
|
CG1
|
B:VAL46
|
5.0
|
11.4
|
1.0
|
|
Calcium binding site 5 out
of 12 in 1atj
Go back to
Calcium Binding Sites List in 1atj
Calcium binding site 5 out
of 12 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca351
b:22.6
occ:1.00
|
OD2
|
C:ASP222
|
2.3
|
20.8
|
1.0
|
|
O
|
C:ILE228
|
2.3
|
22.7
|
1.0
|
|
O
|
C:THR171
|
2.4
|
22.6
|
1.0
|
|
O
|
C:THR225
|
2.4
|
26.7
|
1.0
|
|
OG1
|
C:THR225
|
2.5
|
27.4
|
1.0
|
|
OD1
|
C:ASP230
|
2.5
|
21.3
|
1.0
|
|
OG1
|
C:THR171
|
2.6
|
20.4
|
1.0
|
|
HG1
|
C:THR225
|
3.2
|
0.0
|
1.0
|
|
HG1
|
C:THR171
|
3.3
|
0.0
|
1.0
|
|
CG
|
C:ASP230
|
3.4
|
25.0
|
1.0
|
|
CG
|
C:ASP222
|
3.4
|
22.6
|
1.0
|
|
C
|
C:THR171
|
3.4
|
21.4
|
1.0
|
|
C
|
C:THR225
|
3.4
|
26.7
|
1.0
|
|
C
|
C:ILE228
|
3.5
|
22.5
|
1.0
|
|
CB
|
C:THR225
|
3.5
|
26.1
|
1.0
|
|
H
|
C:ASP230
|
3.5
|
0.0
|
1.0
|
|
OD2
|
C:ASP230
|
3.6
|
24.9
|
1.0
|
|
H
|
C:ILE228
|
3.6
|
0.0
|
1.0
|
|
CB
|
C:THR171
|
3.7
|
20.6
|
1.0
|
|
H
|
C:THR225
|
3.8
|
0.0
|
1.0
|
|
CA
|
C:THR171
|
3.9
|
19.3
|
1.0
|
|
CA
|
C:THR225
|
4.0
|
27.7
|
1.0
|
|
CB
|
C:ASP222
|
4.0
|
23.6
|
1.0
|
|
N
|
C:ILE228
|
4.1
|
22.9
|
1.0
|
|
N
|
C:ASP230
|
4.2
|
24.3
|
1.0
|
|
CA
|
C:ILE228
|
4.2
|
22.7
|
1.0
|
|
N
|
C:THR225
|
4.3
|
30.4
|
1.0
|
|
CG2
|
C:THR171
|
4.3
|
16.1
|
1.0
|
|
OD1
|
C:ASP222
|
4.4
|
24.5
|
1.0
|
|
O
|
C:ASP230
|
4.5
|
27.3
|
1.0
|
|
CB
|
C:ILE228
|
4.5
|
23.8
|
1.0
|
|
N
|
C:PHE229
|
4.5
|
22.3
|
1.0
|
|
CB
|
C:LYS232
|
4.6
|
28.8
|
1.0
|
|
H
|
C:LYS232
|
4.6
|
0.0
|
1.0
|
|
N
|
C:PHE172
|
4.6
|
21.9
|
1.0
|
|
H
|
C:TYR233
|
4.6
|
0.0
|
1.0
|
|
N
|
C:PRO226
|
4.6
|
26.9
|
1.0
|
|
CB
|
C:ASP230
|
4.7
|
23.5
|
1.0
|
|
CA
|
C:PHE229
|
4.7
|
23.3
|
1.0
|
|
CG2
|
C:THR225
|
4.8
|
26.2
|
1.0
|
|
C
|
C:PHE229
|
4.9
|
24.6
|
1.0
|
|
CA
|
C:ASP230
|
4.9
|
25.1
|
1.0
|
|
C
|
C:ASP230
|
4.9
|
26.5
|
1.0
|
|
CG
|
C:LYS232
|
5.0
|
31.6
|
1.0
|
|
Calcium binding site 6 out
of 12 in 1atj
Go back to
Calcium Binding Sites List in 1atj
Calcium binding site 6 out
of 12 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca352
b:13.4
occ:1.00
|
OD1
|
C:ASP50
|
2.3
|
11.9
|
1.0
|
|
O
|
C:VAL46
|
2.3
|
11.3
|
1.0
|
|
O
|
C:ASP43
|
2.4
|
11.9
|
1.0
|
|
OD1
|
C:ASP43
|
2.4
|
13.6
|
1.0
|
|
O
|
C:HOH367
|
2.4
|
11.8
|
1.0
|
|
OG
|
C:SER52
|
2.5
|
10.3
|
1.0
|
|
O
|
C:GLY48
|
2.6
|
11.4
|
1.0
|
|
HG
|
C:SER52
|
3.0
|
0.0
|
1.0
|
|
H
|
C:ASP50
|
3.2
|
0.0
|
1.0
|
|
H
|
C:SER52
|
3.2
|
0.0
|
1.0
|
|
C
|
C:ASP43
|
3.3
|
12.8
|
1.0
|
|
CG
|
C:ASP50
|
3.4
|
14.6
|
1.0
|
|
C
|
C:VAL46
|
3.5
|
11.9
|
1.0
|
|
CG
|
C:ASP43
|
3.6
|
10.1
|
1.0
|
|
CB
|
C:SER52
|
3.7
|
9.8
|
1.0
|
|
H
|
C:ILE53
|
3.7
|
0.0
|
1.0
|
|
OD2
|
C:ASP50
|
3.8
|
15.7
|
1.0
|
|
H
|
C:VAL46
|
3.8
|
0.0
|
1.0
|
|
C
|
C:GLY48
|
3.8
|
12.1
|
1.0
|
|
CA
|
C:ASP43
|
3.8
|
9.6
|
1.0
|
|
N
|
C:SER52
|
3.9
|
12.9
|
1.0
|
|
N
|
C:ASP50
|
4.1
|
10.9
|
1.0
|
|
CA
|
C:VAL46
|
4.3
|
10.8
|
1.0
|
|
CB
|
C:VAL46
|
4.3
|
11.3
|
1.0
|
|
CA
|
C:SER52
|
4.3
|
12.3
|
1.0
|
|
CB
|
C:ASP43
|
4.3
|
7.8
|
1.0
|
|
N
|
C:VAL46
|
4.4
|
13.2
|
1.0
|
|
H
|
C:ALA51
|
4.4
|
0.0
|
1.0
|
|
N
|
C:GLY48
|
4.4
|
13.0
|
1.0
|
|
C
|
C:ASN47
|
4.4
|
14.7
|
1.0
|
|
N
|
C:CYS44
|
4.4
|
12.2
|
1.0
|
|
N
|
C:ILE53
|
4.4
|
13.9
|
1.0
|
|
OD2
|
C:ASP43
|
4.5
|
10.2
|
1.0
|
|
N
|
C:ASN47
|
4.5
|
12.8
|
1.0
|
|
N
|
C:ALA51
|
4.6
|
11.9
|
1.0
|
|
OE2
|
C:GLU64
|
4.6
|
12.5
|
1.0
|
|
CB
|
C:ASP50
|
4.6
|
11.4
|
1.0
|
|
H
|
C:GLY48
|
4.6
|
0.0
|
1.0
|
|
O
|
C:ASN47
|
4.7
|
15.2
|
1.0
|
|
OE1
|
C:GLU64
|
4.7
|
14.4
|
1.0
|
|
N
|
C:CYS49
|
4.7
|
11.9
|
1.0
|
|
CA
|
C:CYS49
|
4.7
|
12.5
|
1.0
|
|
CA
|
C:GLY48
|
4.8
|
11.9
|
1.0
|
|
CA
|
C:ASP50
|
4.8
|
10.7
|
1.0
|
|
CA
|
C:ASN47
|
4.8
|
13.2
|
1.0
|
|
O
|
C:HIS42
|
4.8
|
12.9
|
1.0
|
|
CA
|
C:CYS44
|
4.8
|
14.6
|
1.0
|
|
C
|
C:SER52
|
4.8
|
14.8
|
1.0
|
|
C
|
C:ASP50
|
4.8
|
12.0
|
1.0
|
|
CB
|
C:ASN47
|
4.9
|
15.3
|
1.0
|
|
C
|
C:CYS49
|
5.0
|
12.0
|
1.0
|
|
C
|
C:ALA51
|
5.0
|
12.4
|
1.0
|
|
CG1
|
C:VAL46
|
5.0
|
11.4
|
1.0
|
|
Calcium binding site 7 out
of 12 in 1atj
Go back to
Calcium Binding Sites List in 1atj
Calcium binding site 7 out
of 12 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca351
b:22.6
occ:1.00
|
OD2
|
D:ASP222
|
2.3
|
20.8
|
1.0
|
|
O
|
D:ILE228
|
2.3
|
22.7
|
1.0
|
|
O
|
D:THR171
|
2.4
|
22.6
|
1.0
|
|
O
|
D:THR225
|
2.4
|
26.7
|
1.0
|
|
OG1
|
D:THR225
|
2.5
|
27.4
|
1.0
|
|
OD1
|
D:ASP230
|
2.5
|
21.3
|
1.0
|
|
OG1
|
D:THR171
|
2.6
|
20.4
|
1.0
|
|
HG1
|
D:THR225
|
3.2
|
0.0
|
1.0
|
|
HG1
|
D:THR171
|
3.3
|
0.0
|
1.0
|
|
CG
|
D:ASP230
|
3.4
|
25.0
|
1.0
|
|
CG
|
D:ASP222
|
3.4
|
22.6
|
1.0
|
|
C
|
D:THR171
|
3.4
|
21.4
|
1.0
|
|
C
|
D:THR225
|
3.4
|
26.7
|
1.0
|
|
C
|
D:ILE228
|
3.5
|
22.5
|
1.0
|
|
CB
|
D:THR225
|
3.5
|
26.1
|
1.0
|
|
H
|
D:ASP230
|
3.5
|
0.0
|
1.0
|
|
OD2
|
D:ASP230
|
3.6
|
24.9
|
1.0
|
|
H
|
D:ILE228
|
3.6
|
0.0
|
1.0
|
|
CB
|
D:THR171
|
3.7
|
20.6
|
1.0
|
|
H
|
D:THR225
|
3.8
|
0.0
|
1.0
|
|
CA
|
D:THR171
|
3.9
|
19.3
|
1.0
|
|
CA
|
D:THR225
|
4.0
|
27.7
|
1.0
|
|
CB
|
D:ASP222
|
4.0
|
23.6
|
1.0
|
|
N
|
D:ILE228
|
4.1
|
22.9
|
1.0
|
|
N
|
D:ASP230
|
4.2
|
24.3
|
1.0
|
|
CA
|
D:ILE228
|
4.2
|
22.7
|
1.0
|
|
N
|
D:THR225
|
4.3
|
30.4
|
1.0
|
|
CG2
|
D:THR171
|
4.3
|
16.1
|
1.0
|
|
OD1
|
D:ASP222
|
4.4
|
24.5
|
1.0
|
|
O
|
D:ASP230
|
4.5
|
27.3
|
1.0
|
|
CB
|
D:ILE228
|
4.5
|
23.8
|
1.0
|
|
N
|
D:PHE229
|
4.5
|
22.3
|
1.0
|
|
CB
|
D:LYS232
|
4.6
|
28.8
|
1.0
|
|
H
|
D:LYS232
|
4.6
|
0.0
|
1.0
|
|
N
|
D:PHE172
|
4.6
|
21.9
|
1.0
|
|
H
|
D:TYR233
|
4.6
|
0.0
|
1.0
|
|
N
|
D:PRO226
|
4.6
|
26.9
|
1.0
|
|
CB
|
D:ASP230
|
4.7
|
23.5
|
1.0
|
|
CA
|
D:PHE229
|
4.7
|
23.3
|
1.0
|
|
CG2
|
D:THR225
|
4.7
|
26.2
|
1.0
|
|
C
|
D:PHE229
|
4.9
|
24.6
|
1.0
|
|
CA
|
D:ASP230
|
4.9
|
25.1
|
1.0
|
|
C
|
D:ASP230
|
4.9
|
26.5
|
1.0
|
|
CG
|
D:LYS232
|
5.0
|
31.6
|
1.0
|
|
Calcium binding site 8 out
of 12 in 1atj
Go back to
Calcium Binding Sites List in 1atj
Calcium binding site 8 out
of 12 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca352
b:13.4
occ:1.00
|
OD1
|
D:ASP50
|
2.3
|
11.9
|
1.0
|
|
O
|
D:VAL46
|
2.3
|
11.3
|
1.0
|
|
O
|
D:ASP43
|
2.4
|
11.9
|
1.0
|
|
OD1
|
D:ASP43
|
2.4
|
13.6
|
1.0
|
|
O
|
D:HOH368
|
2.4
|
11.8
|
1.0
|
|
OG
|
D:SER52
|
2.5
|
10.3
|
1.0
|
|
O
|
D:GLY48
|
2.6
|
11.4
|
1.0
|
|
HG
|
D:SER52
|
3.0
|
0.0
|
1.0
|
|
H
|
D:ASP50
|
3.2
|
0.0
|
1.0
|
|
H
|
D:SER52
|
3.2
|
0.0
|
1.0
|
|
C
|
D:ASP43
|
3.3
|
12.8
|
1.0
|
|
CG
|
D:ASP50
|
3.4
|
14.6
|
1.0
|
|
C
|
D:VAL46
|
3.5
|
11.9
|
1.0
|
|
CG
|
D:ASP43
|
3.6
|
10.1
|
1.0
|
|
CB
|
D:SER52
|
3.7
|
9.8
|
1.0
|
|
H
|
D:ILE53
|
3.7
|
0.0
|
1.0
|
|
OD2
|
D:ASP50
|
3.8
|
15.7
|
1.0
|
|
H
|
D:VAL46
|
3.8
|
0.0
|
1.0
|
|
C
|
D:GLY48
|
3.8
|
12.1
|
1.0
|
|
CA
|
D:ASP43
|
3.8
|
9.6
|
1.0
|
|
N
|
D:SER52
|
3.9
|
12.9
|
1.0
|
|
N
|
D:ASP50
|
4.1
|
10.9
|
1.0
|
|
CA
|
D:VAL46
|
4.3
|
10.8
|
1.0
|
|
CB
|
D:VAL46
|
4.3
|
11.3
|
1.0
|
|
CA
|
D:SER52
|
4.3
|
12.3
|
1.0
|
|
CB
|
D:ASP43
|
4.3
|
7.8
|
1.0
|
|
N
|
D:VAL46
|
4.4
|
13.2
|
1.0
|
|
H
|
D:ALA51
|
4.4
|
0.0
|
1.0
|
|
N
|
D:GLY48
|
4.4
|
13.0
|
1.0
|
|
C
|
D:ASN47
|
4.4
|
14.7
|
1.0
|
|
N
|
D:CYS44
|
4.4
|
12.2
|
1.0
|
|
N
|
D:ILE53
|
4.4
|
13.9
|
1.0
|
|
OD2
|
D:ASP43
|
4.5
|
10.2
|
1.0
|
|
N
|
D:ASN47
|
4.5
|
12.8
|
1.0
|
|
N
|
D:ALA51
|
4.6
|
11.9
|
1.0
|
|
OE2
|
D:GLU64
|
4.6
|
12.5
|
1.0
|
|
CB
|
D:ASP50
|
4.6
|
11.4
|
1.0
|
|
H
|
D:GLY48
|
4.7
|
0.0
|
1.0
|
|
O
|
D:ASN47
|
4.7
|
15.2
|
1.0
|
|
OE1
|
D:GLU64
|
4.7
|
14.4
|
1.0
|
|
N
|
D:CYS49
|
4.7
|
11.9
|
1.0
|
|
CA
|
D:CYS49
|
4.7
|
12.5
|
1.0
|
|
CA
|
D:GLY48
|
4.8
|
11.9
|
1.0
|
|
CA
|
D:ASP50
|
4.8
|
10.7
|
1.0
|
|
CA
|
D:ASN47
|
4.8
|
13.2
|
1.0
|
|
O
|
D:HIS42
|
4.8
|
12.9
|
1.0
|
|
CA
|
D:CYS44
|
4.8
|
14.6
|
1.0
|
|
C
|
D:SER52
|
4.8
|
14.8
|
1.0
|
|
C
|
D:ASP50
|
4.8
|
12.0
|
1.0
|
|
CB
|
D:ASN47
|
4.9
|
15.3
|
1.0
|
|
C
|
D:CYS49
|
5.0
|
12.0
|
1.0
|
|
C
|
D:ALA51
|
5.0
|
12.4
|
1.0
|
|
CG1
|
D:VAL46
|
5.0
|
11.4
|
1.0
|
|
Calcium binding site 9 out
of 12 in 1atj
Go back to
Calcium Binding Sites List in 1atj
Calcium binding site 9 out
of 12 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca351
b:22.6
occ:1.00
|
OD2
|
E:ASP222
|
2.3
|
20.8
|
1.0
|
|
O
|
E:ILE228
|
2.3
|
22.7
|
1.0
|
|
O
|
E:THR171
|
2.4
|
22.6
|
1.0
|
|
O
|
E:THR225
|
2.4
|
26.7
|
1.0
|
|
OG1
|
E:THR225
|
2.5
|
27.4
|
1.0
|
|
OD1
|
E:ASP230
|
2.5
|
21.3
|
1.0
|
|
OG1
|
E:THR171
|
2.6
|
20.4
|
1.0
|
|
HG1
|
E:THR225
|
3.2
|
0.0
|
1.0
|
|
HG1
|
E:THR171
|
3.3
|
0.0
|
1.0
|
|
CG
|
E:ASP230
|
3.4
|
25.0
|
1.0
|
|
CG
|
E:ASP222
|
3.4
|
22.6
|
1.0
|
|
C
|
E:THR171
|
3.4
|
21.4
|
1.0
|
|
C
|
E:THR225
|
3.4
|
26.7
|
1.0
|
|
C
|
E:ILE228
|
3.5
|
22.5
|
1.0
|
|
CB
|
E:THR225
|
3.5
|
26.1
|
1.0
|
|
H
|
E:ASP230
|
3.5
|
0.0
|
1.0
|
|
OD2
|
E:ASP230
|
3.6
|
24.9
|
1.0
|
|
H
|
E:ILE228
|
3.6
|
0.0
|
1.0
|
|
CB
|
E:THR171
|
3.7
|
20.6
|
1.0
|
|
H
|
E:THR225
|
3.8
|
0.0
|
1.0
|
|
CA
|
E:THR171
|
3.9
|
19.3
|
1.0
|
|
CA
|
E:THR225
|
4.0
|
27.7
|
1.0
|
|
CB
|
E:ASP222
|
4.0
|
23.6
|
1.0
|
|
N
|
E:ILE228
|
4.1
|
22.9
|
1.0
|
|
N
|
E:ASP230
|
4.2
|
24.3
|
1.0
|
|
CA
|
E:ILE228
|
4.2
|
22.7
|
1.0
|
|
N
|
E:THR225
|
4.3
|
30.4
|
1.0
|
|
CG2
|
E:THR171
|
4.3
|
16.1
|
1.0
|
|
OD1
|
E:ASP222
|
4.4
|
24.5
|
1.0
|
|
O
|
E:ASP230
|
4.5
|
27.3
|
1.0
|
|
CB
|
E:ILE228
|
4.5
|
23.8
|
1.0
|
|
N
|
E:PHE229
|
4.5
|
22.3
|
1.0
|
|
CB
|
E:LYS232
|
4.6
|
28.8
|
1.0
|
|
H
|
E:LYS232
|
4.6
|
0.0
|
1.0
|
|
N
|
E:PHE172
|
4.6
|
21.9
|
1.0
|
|
H
|
E:TYR233
|
4.6
|
0.0
|
1.0
|
|
N
|
E:PRO226
|
4.6
|
26.9
|
1.0
|
|
CB
|
E:ASP230
|
4.7
|
23.5
|
1.0
|
|
CA
|
E:PHE229
|
4.7
|
23.3
|
1.0
|
|
CG2
|
E:THR225
|
4.7
|
26.2
|
1.0
|
|
C
|
E:PHE229
|
4.9
|
24.6
|
1.0
|
|
CA
|
E:ASP230
|
4.9
|
25.1
|
1.0
|
|
C
|
E:ASP230
|
4.9
|
26.5
|
1.0
|
|
CG
|
E:LYS232
|
5.0
|
31.6
|
1.0
|
|
Calcium binding site 10 out
of 12 in 1atj
Go back to
Calcium Binding Sites List in 1atj
Calcium binding site 10 out
of 12 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca352
b:13.4
occ:1.00
|
OD1
|
E:ASP50
|
2.3
|
11.9
|
1.0
|
|
O
|
E:VAL46
|
2.3
|
11.3
|
1.0
|
|
O
|
E:ASP43
|
2.4
|
11.9
|
1.0
|
|
OD1
|
E:ASP43
|
2.4
|
13.6
|
1.0
|
|
O
|
E:HOH368
|
2.4
|
11.8
|
1.0
|
|
OG
|
E:SER52
|
2.5
|
10.3
|
1.0
|
|
O
|
E:GLY48
|
2.6
|
11.4
|
1.0
|
|
HG
|
E:SER52
|
3.0
|
0.0
|
1.0
|
|
H
|
E:ASP50
|
3.2
|
0.0
|
1.0
|
|
H
|
E:SER52
|
3.2
|
0.0
|
1.0
|
|
C
|
E:ASP43
|
3.3
|
12.8
|
1.0
|
|
CG
|
E:ASP50
|
3.4
|
14.6
|
1.0
|
|
C
|
E:VAL46
|
3.5
|
11.9
|
1.0
|
|
CG
|
E:ASP43
|
3.6
|
10.1
|
1.0
|
|
CB
|
E:SER52
|
3.7
|
9.8
|
1.0
|
|
H
|
E:ILE53
|
3.7
|
0.0
|
1.0
|
|
OD2
|
E:ASP50
|
3.8
|
15.7
|
1.0
|
|
H
|
E:VAL46
|
3.8
|
0.0
|
1.0
|
|
C
|
E:GLY48
|
3.8
|
12.1
|
1.0
|
|
CA
|
E:ASP43
|
3.8
|
9.6
|
1.0
|
|
N
|
E:SER52
|
3.9
|
12.9
|
1.0
|
|
N
|
E:ASP50
|
4.1
|
10.9
|
1.0
|
|
CA
|
E:VAL46
|
4.3
|
10.8
|
1.0
|
|
CB
|
E:VAL46
|
4.3
|
11.3
|
1.0
|
|
CA
|
E:SER52
|
4.3
|
12.3
|
1.0
|
|
CB
|
E:ASP43
|
4.3
|
7.8
|
1.0
|
|
N
|
E:VAL46
|
4.4
|
13.2
|
1.0
|
|
H
|
E:ALA51
|
4.4
|
0.0
|
1.0
|
|
N
|
E:GLY48
|
4.4
|
13.0
|
1.0
|
|
C
|
E:ASN47
|
4.4
|
14.7
|
1.0
|
|
N
|
E:CYS44
|
4.4
|
12.2
|
1.0
|
|
N
|
E:ILE53
|
4.4
|
13.9
|
1.0
|
|
OD2
|
E:ASP43
|
4.5
|
10.2
|
1.0
|
|
N
|
E:ASN47
|
4.5
|
12.8
|
1.0
|
|
N
|
E:ALA51
|
4.6
|
11.9
|
1.0
|
|
OE2
|
E:GLU64
|
4.6
|
12.5
|
1.0
|
|
CB
|
E:ASP50
|
4.6
|
11.4
|
1.0
|
|
H
|
E:GLY48
|
4.6
|
0.0
|
1.0
|
|
O
|
E:ASN47
|
4.7
|
15.2
|
1.0
|
|
OE1
|
E:GLU64
|
4.7
|
14.4
|
1.0
|
|
N
|
E:CYS49
|
4.7
|
11.9
|
1.0
|
|
CA
|
E:CYS49
|
4.7
|
12.5
|
1.0
|
|
CA
|
E:GLY48
|
4.8
|
11.9
|
1.0
|
|
CA
|
E:ASP50
|
4.8
|
10.7
|
1.0
|
|
CA
|
E:ASN47
|
4.8
|
13.2
|
1.0
|
|
O
|
E:HIS42
|
4.8
|
12.9
|
1.0
|
|
CA
|
E:CYS44
|
4.8
|
14.6
|
1.0
|
|
C
|
E:SER52
|
4.8
|
14.8
|
1.0
|
|
C
|
E:ASP50
|
4.8
|
12.0
|
1.0
|
|
CB
|
E:ASN47
|
4.9
|
15.3
|
1.0
|
|
C
|
E:CYS49
|
5.0
|
12.0
|
1.0
|
|
C
|
E:ALA51
|
5.0
|
12.4
|
1.0
|
|
CG1
|
E:VAL46
|
5.0
|
11.4
|
1.0
|
|
Reference:
M.Gajhede,
D.J.Schuller,
A.Henriksen,
A.T.Smith,
T.L.Poulos.
Crystal Structure of Horseradish Peroxidase C at 2.15 A Resolution. Nat.Struct.Biol. V. 4 1032 1997.
ISSN: ISSN 1072-8368
PubMed: 9406554
DOI: 10.1038/NSB1297-1032
Page generated: Thu Jul 11 06:03:47 2024
|
