Iron 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:
Iron Binding Sites:
The binding sites of Iron atom in the Recombinant Horseradish Peroxidase C1A
(pdb code 1atj). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the
Recombinant Horseradish Peroxidase C1A, PDB code: 1atj:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 1atj
Go back to
Iron Binding Sites List in 1atj
Iron binding site 1 out
of 6 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe350
b:20.0
occ:1.00
|
FE
|
A:HEM350
|
0.0
|
20.0
|
1.0
|
|
NA
|
A:HEM350
|
1.9
|
16.9
|
1.0
|
|
NC
|
A:HEM350
|
2.0
|
14.9
|
1.0
|
|
ND
|
A:HEM350
|
2.0
|
14.8
|
1.0
|
|
NB
|
A:HEM350
|
2.0
|
18.1
|
1.0
|
|
NE2
|
A:HIS170
|
2.2
|
17.6
|
1.0
|
|
C4A
|
A:HEM350
|
2.9
|
17.3
|
1.0
|
|
C4C
|
A:HEM350
|
3.0
|
14.8
|
1.0
|
|
C1D
|
A:HEM350
|
3.0
|
14.6
|
1.0
|
|
CE1
|
A:HIS170
|
3.1
|
16.9
|
1.0
|
|
C1C
|
A:HEM350
|
3.1
|
14.0
|
1.0
|
|
C1B
|
A:HEM350
|
3.1
|
15.9
|
1.0
|
|
C1A
|
A:HEM350
|
3.1
|
16.9
|
1.0
|
|
C4B
|
A:HEM350
|
3.1
|
17.4
|
1.0
|
|
C4D
|
A:HEM350
|
3.1
|
13.9
|
1.0
|
|
CD2
|
A:HIS170
|
3.2
|
17.1
|
1.0
|
|
O
|
A:HOH440
|
3.2
|
26.8
|
1.0
|
|
CHD
|
A:HEM350
|
3.4
|
14.2
|
1.0
|
|
CHB
|
A:HEM350
|
3.4
|
16.6
|
1.0
|
|
CHC
|
A:HEM350
|
3.5
|
15.7
|
1.0
|
|
CHA
|
A:HEM350
|
3.6
|
14.6
|
1.0
|
|
HE
|
A:ARG38
|
3.9
|
0.0
|
1.0
|
|
C3A
|
A:HEM350
|
4.2
|
17.3
|
1.0
|
|
ND1
|
A:HIS170
|
4.2
|
19.1
|
1.0
|
|
C3C
|
A:HEM350
|
4.3
|
13.9
|
1.0
|
|
C2A
|
A:HEM350
|
4.3
|
17.8
|
1.0
|
|
C2C
|
A:HEM350
|
4.3
|
13.4
|
1.0
|
|
CG
|
A:HIS170
|
4.3
|
18.8
|
1.0
|
|
C2D
|
A:HEM350
|
4.3
|
12.9
|
1.0
|
|
C2B
|
A:HEM350
|
4.3
|
15.6
|
1.0
|
|
C3D
|
A:HEM350
|
4.3
|
13.1
|
1.0
|
|
C3B
|
A:HEM350
|
4.3
|
16.9
|
1.0
|
|
CE2
|
A:PHE41
|
4.5
|
10.7
|
1.0
|
|
NE
|
A:ARG38
|
4.6
|
19.5
|
1.0
|
|
CZ
|
A:PHE221
|
4.8
|
21.4
|
1.0
|
|
CD2
|
A:PHE41
|
4.9
|
12.0
|
1.0
|
|
CG
|
A:ARG38
|
4.9
|
15.8
|
1.0
|
|
O
|
A:HOH470
|
4.9
|
38.7
|
1.0
|
|
CD
|
A:ARG38
|
4.9
|
17.2
|
1.0
|
|
Iron binding site 2 out
of 6 in 1atj
Go back to
Iron Binding Sites List in 1atj
Iron binding site 2 out
of 6 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe350
b:20.0
occ:1.00
|
FE
|
B:HEM350
|
0.0
|
20.0
|
1.0
|
|
NA
|
B:HEM350
|
1.9
|
16.9
|
1.0
|
|
NC
|
B:HEM350
|
2.0
|
14.9
|
1.0
|
|
ND
|
B:HEM350
|
2.0
|
14.8
|
1.0
|
|
NB
|
B:HEM350
|
2.0
|
18.1
|
1.0
|
|
NE2
|
B:HIS170
|
2.2
|
17.6
|
1.0
|
|
C4A
|
B:HEM350
|
2.9
|
17.3
|
1.0
|
|
C4C
|
B:HEM350
|
3.0
|
14.8
|
1.0
|
|
C1D
|
B:HEM350
|
3.0
|
14.6
|
1.0
|
|
CE1
|
B:HIS170
|
3.1
|
16.9
|
1.0
|
|
C1C
|
B:HEM350
|
3.1
|
14.0
|
1.0
|
|
C1B
|
B:HEM350
|
3.1
|
15.9
|
1.0
|
|
C1A
|
B:HEM350
|
3.1
|
16.9
|
1.0
|
|
C4B
|
B:HEM350
|
3.1
|
17.4
|
1.0
|
|
C4D
|
B:HEM350
|
3.1
|
13.9
|
1.0
|
|
CD2
|
B:HIS170
|
3.2
|
17.1
|
1.0
|
|
O
|
B:HOH444
|
3.2
|
26.8
|
1.0
|
|
CHD
|
B:HEM350
|
3.4
|
14.2
|
1.0
|
|
CHB
|
B:HEM350
|
3.4
|
16.6
|
1.0
|
|
CHC
|
B:HEM350
|
3.5
|
15.7
|
1.0
|
|
CHA
|
B:HEM350
|
3.6
|
14.6
|
1.0
|
|
HE
|
B:ARG38
|
3.9
|
0.0
|
1.0
|
|
C3A
|
B:HEM350
|
4.2
|
17.3
|
1.0
|
|
ND1
|
B:HIS170
|
4.2
|
19.1
|
1.0
|
|
C3C
|
B:HEM350
|
4.3
|
13.9
|
1.0
|
|
C2A
|
B:HEM350
|
4.3
|
17.8
|
1.0
|
|
C2C
|
B:HEM350
|
4.3
|
13.4
|
1.0
|
|
CG
|
B:HIS170
|
4.3
|
18.8
|
1.0
|
|
C2D
|
B:HEM350
|
4.3
|
12.9
|
1.0
|
|
C2B
|
B:HEM350
|
4.3
|
15.6
|
1.0
|
|
C3D
|
B:HEM350
|
4.3
|
13.1
|
1.0
|
|
C3B
|
B:HEM350
|
4.3
|
16.9
|
1.0
|
|
CE2
|
B:PHE41
|
4.5
|
10.7
|
1.0
|
|
NE
|
B:ARG38
|
4.6
|
19.5
|
1.0
|
|
CZ
|
B:PHE221
|
4.8
|
21.4
|
1.0
|
|
CD2
|
B:PHE41
|
4.9
|
12.0
|
1.0
|
|
CG
|
B:ARG38
|
4.9
|
15.8
|
1.0
|
|
O
|
B:HOH474
|
4.9
|
38.7
|
1.0
|
|
CD
|
B:ARG38
|
4.9
|
17.2
|
1.0
|
|
Iron binding site 3 out
of 6 in 1atj
Go back to
Iron Binding Sites List in 1atj
Iron binding site 3 out
of 6 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe350
b:20.0
occ:1.00
|
FE
|
C:HEM350
|
0.0
|
20.0
|
1.0
|
|
NA
|
C:HEM350
|
1.9
|
16.9
|
1.0
|
|
NC
|
C:HEM350
|
2.0
|
14.9
|
1.0
|
|
ND
|
C:HEM350
|
2.0
|
14.8
|
1.0
|
|
NB
|
C:HEM350
|
2.0
|
18.1
|
1.0
|
|
NE2
|
C:HIS170
|
2.2
|
17.6
|
1.0
|
|
C4A
|
C:HEM350
|
2.9
|
17.3
|
1.0
|
|
C4C
|
C:HEM350
|
3.0
|
14.8
|
1.0
|
|
C1D
|
C:HEM350
|
3.0
|
14.6
|
1.0
|
|
CE1
|
C:HIS170
|
3.1
|
16.9
|
1.0
|
|
C1C
|
C:HEM350
|
3.1
|
14.0
|
1.0
|
|
C1B
|
C:HEM350
|
3.1
|
15.9
|
1.0
|
|
C1A
|
C:HEM350
|
3.1
|
16.9
|
1.0
|
|
C4B
|
C:HEM350
|
3.1
|
17.4
|
1.0
|
|
C4D
|
C:HEM350
|
3.1
|
13.9
|
1.0
|
|
CD2
|
C:HIS170
|
3.2
|
17.1
|
1.0
|
|
O
|
C:HOH443
|
3.2
|
26.8
|
1.0
|
|
CHD
|
C:HEM350
|
3.4
|
14.2
|
1.0
|
|
CHB
|
C:HEM350
|
3.4
|
16.6
|
1.0
|
|
CHC
|
C:HEM350
|
3.5
|
15.7
|
1.0
|
|
CHA
|
C:HEM350
|
3.6
|
14.6
|
1.0
|
|
HE
|
C:ARG38
|
3.9
|
0.0
|
1.0
|
|
C3A
|
C:HEM350
|
4.2
|
17.3
|
1.0
|
|
ND1
|
C:HIS170
|
4.2
|
19.1
|
1.0
|
|
C3C
|
C:HEM350
|
4.3
|
13.9
|
1.0
|
|
C2A
|
C:HEM350
|
4.3
|
17.8
|
1.0
|
|
C2C
|
C:HEM350
|
4.3
|
13.4
|
1.0
|
|
CG
|
C:HIS170
|
4.3
|
18.8
|
1.0
|
|
C2D
|
C:HEM350
|
4.3
|
12.9
|
1.0
|
|
C2B
|
C:HEM350
|
4.3
|
15.6
|
1.0
|
|
C3D
|
C:HEM350
|
4.3
|
13.1
|
1.0
|
|
C3B
|
C:HEM350
|
4.3
|
16.9
|
1.0
|
|
CE2
|
C:PHE41
|
4.5
|
10.7
|
1.0
|
|
NE
|
C:ARG38
|
4.6
|
19.5
|
1.0
|
|
CZ
|
C:PHE221
|
4.8
|
21.4
|
1.0
|
|
CD2
|
C:PHE41
|
4.9
|
12.0
|
1.0
|
|
CG
|
C:ARG38
|
4.9
|
15.8
|
1.0
|
|
O
|
C:HOH474
|
4.9
|
38.7
|
1.0
|
|
CD
|
C:ARG38
|
4.9
|
17.2
|
1.0
|
|
Iron binding site 4 out
of 6 in 1atj
Go back to
Iron Binding Sites List in 1atj
Iron binding site 4 out
of 6 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe350
b:20.0
occ:1.00
|
FE
|
D:HEM350
|
0.0
|
20.0
|
1.0
|
|
NA
|
D:HEM350
|
1.9
|
16.9
|
1.0
|
|
NC
|
D:HEM350
|
2.0
|
14.9
|
1.0
|
|
ND
|
D:HEM350
|
2.0
|
14.8
|
1.0
|
|
NB
|
D:HEM350
|
2.0
|
18.1
|
1.0
|
|
NE2
|
D:HIS170
|
2.2
|
17.6
|
1.0
|
|
C4A
|
D:HEM350
|
2.9
|
17.3
|
1.0
|
|
C4C
|
D:HEM350
|
3.0
|
14.8
|
1.0
|
|
C1D
|
D:HEM350
|
3.0
|
14.6
|
1.0
|
|
CE1
|
D:HIS170
|
3.1
|
16.9
|
1.0
|
|
C1C
|
D:HEM350
|
3.1
|
14.0
|
1.0
|
|
C1B
|
D:HEM350
|
3.1
|
15.9
|
1.0
|
|
C1A
|
D:HEM350
|
3.1
|
16.9
|
1.0
|
|
C4B
|
D:HEM350
|
3.1
|
17.4
|
1.0
|
|
C4D
|
D:HEM350
|
3.1
|
13.9
|
1.0
|
|
CD2
|
D:HIS170
|
3.2
|
17.1
|
1.0
|
|
O
|
D:HOH443
|
3.2
|
26.8
|
1.0
|
|
CHD
|
D:HEM350
|
3.4
|
14.2
|
1.0
|
|
CHB
|
D:HEM350
|
3.4
|
16.6
|
1.0
|
|
CHC
|
D:HEM350
|
3.5
|
15.7
|
1.0
|
|
CHA
|
D:HEM350
|
3.6
|
14.6
|
1.0
|
|
HE
|
D:ARG38
|
3.9
|
0.0
|
1.0
|
|
C3A
|
D:HEM350
|
4.2
|
17.3
|
1.0
|
|
ND1
|
D:HIS170
|
4.2
|
19.1
|
1.0
|
|
C3C
|
D:HEM350
|
4.3
|
13.9
|
1.0
|
|
C2A
|
D:HEM350
|
4.3
|
17.8
|
1.0
|
|
C2C
|
D:HEM350
|
4.3
|
13.4
|
1.0
|
|
CG
|
D:HIS170
|
4.3
|
18.8
|
1.0
|
|
C2D
|
D:HEM350
|
4.3
|
12.9
|
1.0
|
|
C2B
|
D:HEM350
|
4.3
|
15.6
|
1.0
|
|
C3D
|
D:HEM350
|
4.3
|
13.1
|
1.0
|
|
C3B
|
D:HEM350
|
4.3
|
16.9
|
1.0
|
|
CE2
|
D:PHE41
|
4.5
|
10.7
|
1.0
|
|
NE
|
D:ARG38
|
4.6
|
19.5
|
1.0
|
|
CZ
|
D:PHE221
|
4.8
|
21.4
|
1.0
|
|
CD2
|
D:PHE41
|
4.9
|
12.0
|
1.0
|
|
CG
|
D:ARG38
|
4.9
|
15.8
|
1.0
|
|
O
|
D:HOH474
|
4.9
|
38.7
|
1.0
|
|
CD
|
D:ARG38
|
4.9
|
17.2
|
1.0
|
|
Iron binding site 5 out
of 6 in 1atj
Go back to
Iron Binding Sites List in 1atj
Iron binding site 5 out
of 6 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe350
b:20.0
occ:1.00
|
FE
|
E:HEM350
|
0.0
|
20.0
|
1.0
|
|
NA
|
E:HEM350
|
1.9
|
16.9
|
1.0
|
|
NC
|
E:HEM350
|
2.0
|
14.9
|
1.0
|
|
ND
|
E:HEM350
|
2.0
|
14.8
|
1.0
|
|
NB
|
E:HEM350
|
2.0
|
18.1
|
1.0
|
|
NE2
|
E:HIS170
|
2.2
|
17.6
|
1.0
|
|
C4A
|
E:HEM350
|
2.9
|
17.3
|
1.0
|
|
C4C
|
E:HEM350
|
3.0
|
14.8
|
1.0
|
|
C1D
|
E:HEM350
|
3.0
|
14.6
|
1.0
|
|
CE1
|
E:HIS170
|
3.1
|
16.9
|
1.0
|
|
C1C
|
E:HEM350
|
3.1
|
14.0
|
1.0
|
|
C1B
|
E:HEM350
|
3.1
|
15.9
|
1.0
|
|
C1A
|
E:HEM350
|
3.1
|
16.9
|
1.0
|
|
C4B
|
E:HEM350
|
3.1
|
17.4
|
1.0
|
|
C4D
|
E:HEM350
|
3.1
|
13.9
|
1.0
|
|
CD2
|
E:HIS170
|
3.2
|
17.1
|
1.0
|
|
O
|
E:HOH444
|
3.2
|
26.8
|
1.0
|
|
CHD
|
E:HEM350
|
3.4
|
14.2
|
1.0
|
|
CHB
|
E:HEM350
|
3.4
|
16.6
|
1.0
|
|
CHC
|
E:HEM350
|
3.5
|
15.7
|
1.0
|
|
CHA
|
E:HEM350
|
3.6
|
14.6
|
1.0
|
|
HE
|
E:ARG38
|
3.9
|
0.0
|
1.0
|
|
C3A
|
E:HEM350
|
4.2
|
17.3
|
1.0
|
|
ND1
|
E:HIS170
|
4.2
|
19.1
|
1.0
|
|
C3C
|
E:HEM350
|
4.3
|
13.9
|
1.0
|
|
C2A
|
E:HEM350
|
4.3
|
17.8
|
1.0
|
|
C2C
|
E:HEM350
|
4.3
|
13.4
|
1.0
|
|
CG
|
E:HIS170
|
4.3
|
18.8
|
1.0
|
|
C2D
|
E:HEM350
|
4.3
|
12.9
|
1.0
|
|
C2B
|
E:HEM350
|
4.3
|
15.6
|
1.0
|
|
C3D
|
E:HEM350
|
4.3
|
13.1
|
1.0
|
|
C3B
|
E:HEM350
|
4.3
|
16.9
|
1.0
|
|
CE2
|
E:PHE41
|
4.5
|
10.7
|
1.0
|
|
NE
|
E:ARG38
|
4.6
|
19.5
|
1.0
|
|
CZ
|
E:PHE221
|
4.8
|
21.4
|
1.0
|
|
CD2
|
E:PHE41
|
4.9
|
12.0
|
1.0
|
|
CG
|
E:ARG38
|
4.9
|
15.8
|
1.0
|
|
O
|
E:HOH472
|
4.9
|
38.7
|
1.0
|
|
CD
|
E:ARG38
|
4.9
|
17.2
|
1.0
|
|
Iron binding site 6 out
of 6 in 1atj
Go back to
Iron Binding Sites List in 1atj
Iron binding site 6 out
of 6 in the Recombinant Horseradish Peroxidase C1A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Recombinant Horseradish Peroxidase C1A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe350
b:20.0
occ:1.00
|
FE
|
F:HEM350
|
0.0
|
20.0
|
1.0
|
|
NA
|
F:HEM350
|
1.9
|
16.9
|
1.0
|
|
NC
|
F:HEM350
|
2.0
|
14.9
|
1.0
|
|
ND
|
F:HEM350
|
2.0
|
14.8
|
1.0
|
|
NB
|
F:HEM350
|
2.0
|
18.1
|
1.0
|
|
NE2
|
F:HIS170
|
2.2
|
17.6
|
1.0
|
|
C4A
|
F:HEM350
|
2.9
|
17.3
|
1.0
|
|
C4C
|
F:HEM350
|
3.0
|
14.8
|
1.0
|
|
C1D
|
F:HEM350
|
3.0
|
14.6
|
1.0
|
|
CE1
|
F:HIS170
|
3.1
|
16.9
|
1.0
|
|
C1C
|
F:HEM350
|
3.1
|
14.0
|
1.0
|
|
C1B
|
F:HEM350
|
3.1
|
15.9
|
1.0
|
|
C1A
|
F:HEM350
|
3.1
|
16.9
|
1.0
|
|
C4B
|
F:HEM350
|
3.1
|
17.4
|
1.0
|
|
C4D
|
F:HEM350
|
3.1
|
13.9
|
1.0
|
|
CD2
|
F:HIS170
|
3.2
|
17.1
|
1.0
|
|
O
|
F:HOH442
|
3.2
|
26.8
|
1.0
|
|
CHD
|
F:HEM350
|
3.4
|
14.2
|
1.0
|
|
CHB
|
F:HEM350
|
3.4
|
16.6
|
1.0
|
|
CHC
|
F:HEM350
|
3.5
|
15.7
|
1.0
|
|
CHA
|
F:HEM350
|
3.6
|
14.6
|
1.0
|
|
HE
|
F:ARG38
|
3.9
|
0.0
|
1.0
|
|
C3A
|
F:HEM350
|
4.2
|
17.3
|
1.0
|
|
ND1
|
F:HIS170
|
4.2
|
19.1
|
1.0
|
|
C3C
|
F:HEM350
|
4.3
|
13.9
|
1.0
|
|
C2A
|
F:HEM350
|
4.3
|
17.8
|
1.0
|
|
C2C
|
F:HEM350
|
4.3
|
13.4
|
1.0
|
|
CG
|
F:HIS170
|
4.3
|
18.8
|
1.0
|
|
C2D
|
F:HEM350
|
4.3
|
12.9
|
1.0
|
|
C2B
|
F:HEM350
|
4.3
|
15.6
|
1.0
|
|
C3D
|
F:HEM350
|
4.3
|
13.1
|
1.0
|
|
C3B
|
F:HEM350
|
4.3
|
16.9
|
1.0
|
|
CE2
|
F:PHE41
|
4.5
|
10.7
|
1.0
|
|
NE
|
F:ARG38
|
4.6
|
19.5
|
1.0
|
|
CZ
|
F:PHE221
|
4.8
|
21.4
|
1.0
|
|
CD2
|
F:PHE41
|
4.9
|
12.0
|
1.0
|
|
CG
|
F:ARG38
|
4.9
|
15.8
|
1.0
|
|
O
|
F:HOH473
|
4.9
|
38.7
|
1.0
|
|
CD
|
F:ARG38
|
4.9
|
17.2
|
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: Sat Aug 3 02:20:05 2024
|
