Iron in PDB 4qom: Bacillus Pumilus Catalase with Pyrogallol Bound
Enzymatic activity of Bacillus Pumilus Catalase with Pyrogallol Bound
All present enzymatic activity of Bacillus Pumilus Catalase with Pyrogallol Bound:
1.11.1.6;
Protein crystallography data
The structure of Bacillus Pumilus Catalase with Pyrogallol Bound, PDB code: 4qom
was solved by
P.C.Loewen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
103.29 /
1.65
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
91.853,
109.424,
103.368,
90.00,
92.21,
90.00
|
R / Rfree (%)
|
17.8 /
21
|
Other elements in 4qom:
The structure of Bacillus Pumilus Catalase with Pyrogallol Bound also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Bacillus Pumilus Catalase with Pyrogallol Bound
(pdb code 4qom). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Bacillus Pumilus Catalase with Pyrogallol Bound, PDB code: 4qom:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 4qom
Go back to
Iron Binding Sites List in 4qom
Iron binding site 1 out
of 8 in the Bacillus Pumilus Catalase with Pyrogallol Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Bacillus Pumilus Catalase with Pyrogallol Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:18.9
occ:0.50
|
FE
|
A:HEM501
|
0.0
|
18.9
|
0.5
|
FE
|
A:HEM502
|
0.5
|
20.4
|
0.5
|
NA
|
A:HEM502
|
1.5
|
18.1
|
0.5
|
OH
|
A:TYR340
|
1.9
|
20.8
|
1.0
|
ND
|
A:HEM501
|
1.9
|
16.4
|
0.5
|
NB
|
A:HEM502
|
2.0
|
18.1
|
0.5
|
NA
|
A:HEM501
|
2.0
|
15.6
|
0.5
|
NB
|
A:HEM501
|
2.1
|
16.4
|
0.5
|
NC
|
A:HEM501
|
2.1
|
16.6
|
0.5
|
ND
|
A:HEM502
|
2.1
|
17.1
|
0.5
|
C4A
|
A:HEM502
|
2.5
|
17.9
|
0.5
|
NC
|
A:HEM502
|
2.6
|
17.2
|
0.5
|
C1A
|
A:HEM502
|
2.6
|
17.0
|
0.5
|
C1B
|
A:HEM502
|
2.7
|
18.5
|
0.5
|
C1D
|
A:HEM501
|
2.9
|
16.4
|
0.5
|
C4D
|
A:HEM501
|
2.9
|
15.6
|
0.5
|
C4D
|
A:HEM502
|
2.9
|
16.2
|
0.5
|
O1
|
A:PYG504
|
3.0
|
36.5
|
1.0
|
CZ
|
A:TYR340
|
3.0
|
17.5
|
1.0
|
CHB
|
A:HEM502
|
3.0
|
17.9
|
0.5
|
C1B
|
A:HEM501
|
3.0
|
16.6
|
0.5
|
C4C
|
A:HEM501
|
3.0
|
16.6
|
0.5
|
C4B
|
A:HEM501
|
3.0
|
16.4
|
0.5
|
C1A
|
A:HEM501
|
3.1
|
15.2
|
0.5
|
C4A
|
A:HEM501
|
3.1
|
15.6
|
0.5
|
C1C
|
A:HEM501
|
3.1
|
16.7
|
0.5
|
C4B
|
A:HEM502
|
3.1
|
18.5
|
0.5
|
CHA
|
A:HEM502
|
3.2
|
16.8
|
0.5
|
C1D
|
A:HEM502
|
3.3
|
16.3
|
0.5
|
CHD
|
A:HEM501
|
3.4
|
16.5
|
0.5
|
CHA
|
A:HEM501
|
3.4
|
15.3
|
0.5
|
CHB
|
A:HEM501
|
3.4
|
15.9
|
0.5
|
C1C
|
A:HEM502
|
3.5
|
17.1
|
0.5
|
CHC
|
A:HEM501
|
3.5
|
16.4
|
0.5
|
C4C
|
A:HEM502
|
3.6
|
17.0
|
0.5
|
CE2
|
A:TYR340
|
3.7
|
17.9
|
1.0
|
C3A
|
A:HEM502
|
3.7
|
17.3
|
0.5
|
CHC
|
A:HEM502
|
3.7
|
17.7
|
0.5
|
C2A
|
A:HEM502
|
3.8
|
16.6
|
0.5
|
CE1
|
A:TYR340
|
3.9
|
17.2
|
1.0
|
CHD
|
A:HEM502
|
3.9
|
16.3
|
0.5
|
C2B
|
A:HEM502
|
4.1
|
18.4
|
0.5
|
NH2
|
A:ARG336
|
4.1
|
19.8
|
1.0
|
C2D
|
A:HEM501
|
4.1
|
15.8
|
0.5
|
C3D
|
A:HEM501
|
4.2
|
14.9
|
0.5
|
NE
|
A:ARG336
|
4.2
|
17.1
|
1.0
|
C3C
|
A:HEM501
|
4.2
|
16.7
|
0.5
|
C2B
|
A:HEM501
|
4.2
|
16.8
|
0.5
|
C3B
|
A:HEM502
|
4.2
|
18.4
|
0.5
|
C3B
|
A:HEM501
|
4.3
|
16.7
|
0.5
|
C2C
|
A:HEM501
|
4.3
|
16.7
|
0.5
|
C1
|
A:PYG504
|
4.3
|
35.2
|
1.0
|
C3A
|
A:HEM501
|
4.3
|
15.0
|
0.5
|
C2A
|
A:HEM501
|
4.3
|
14.7
|
0.5
|
C3D
|
A:HEM502
|
4.3
|
15.8
|
0.5
|
C2D
|
A:HEM502
|
4.5
|
16.0
|
0.5
|
NE2
|
A:HIS57
|
4.5
|
17.1
|
1.0
|
O2
|
A:PYG504
|
4.5
|
27.8
|
1.0
|
CD2
|
A:HIS57
|
4.6
|
16.3
|
1.0
|
CZ
|
A:ARG336
|
4.6
|
18.0
|
1.0
|
CZ
|
A:PHE143
|
4.6
|
18.4
|
1.0
|
CG2
|
A:VAL56
|
4.7
|
17.3
|
1.0
|
C2C
|
A:HEM502
|
4.7
|
16.7
|
0.5
|
C3C
|
A:HEM502
|
4.7
|
16.3
|
0.5
|
C2
|
A:PYG504
|
4.9
|
31.1
|
1.0
|
CD2
|
A:TYR340
|
5.0
|
16.9
|
1.0
|
|
Iron binding site 2 out
of 8 in 4qom
Go back to
Iron Binding Sites List in 4qom
Iron binding site 2 out
of 8 in the Bacillus Pumilus Catalase with Pyrogallol Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Bacillus Pumilus Catalase with Pyrogallol Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:20.4
occ:0.50
|
FE
|
A:HEM502
|
0.0
|
20.4
|
0.5
|
FE
|
A:HEM501
|
0.5
|
18.9
|
0.5
|
NB
|
A:HEM501
|
1.6
|
16.4
|
0.5
|
ND
|
A:HEM502
|
1.9
|
17.1
|
0.5
|
NA
|
A:HEM501
|
1.9
|
15.6
|
0.5
|
OH
|
A:TYR340
|
2.0
|
20.8
|
1.0
|
NA
|
A:HEM502
|
2.0
|
18.1
|
0.5
|
NC
|
A:HEM502
|
2.0
|
17.2
|
0.5
|
NB
|
A:HEM502
|
2.1
|
18.1
|
0.5
|
NC
|
A:HEM501
|
2.3
|
16.6
|
0.5
|
ND
|
A:HEM501
|
2.4
|
16.4
|
0.5
|
C1B
|
A:HEM501
|
2.5
|
16.6
|
0.5
|
C4B
|
A:HEM501
|
2.6
|
16.4
|
0.5
|
C4A
|
A:HEM501
|
2.8
|
15.6
|
0.5
|
C4D
|
A:HEM502
|
2.9
|
16.2
|
0.5
|
O1
|
A:PYG504
|
3.0
|
36.5
|
1.0
|
C1D
|
A:HEM502
|
3.0
|
16.3
|
0.5
|
CZ
|
A:TYR340
|
3.0
|
17.5
|
1.0
|
CHB
|
A:HEM501
|
3.0
|
15.9
|
0.5
|
C1C
|
A:HEM502
|
3.0
|
17.1
|
0.5
|
C1A
|
A:HEM502
|
3.0
|
17.0
|
0.5
|
C4C
|
A:HEM502
|
3.0
|
17.0
|
0.5
|
C4A
|
A:HEM502
|
3.0
|
17.9
|
0.5
|
C1B
|
A:HEM502
|
3.0
|
18.5
|
0.5
|
C4B
|
A:HEM502
|
3.1
|
18.5
|
0.5
|
C1A
|
A:HEM501
|
3.1
|
15.2
|
0.5
|
C1C
|
A:HEM501
|
3.1
|
16.7
|
0.5
|
CHC
|
A:HEM501
|
3.3
|
16.4
|
0.5
|
C4D
|
A:HEM501
|
3.3
|
15.6
|
0.5
|
C4C
|
A:HEM501
|
3.4
|
16.6
|
0.5
|
CHA
|
A:HEM502
|
3.4
|
16.8
|
0.5
|
C1D
|
A:HEM501
|
3.4
|
16.4
|
0.5
|
CHD
|
A:HEM502
|
3.4
|
16.3
|
0.5
|
CHB
|
A:HEM502
|
3.5
|
17.9
|
0.5
|
CHC
|
A:HEM502
|
3.5
|
17.7
|
0.5
|
CHA
|
A:HEM501
|
3.7
|
15.3
|
0.5
|
CE1
|
A:TYR340
|
3.7
|
17.2
|
1.0
|
C2B
|
A:HEM501
|
3.7
|
16.8
|
0.5
|
C3B
|
A:HEM501
|
3.8
|
16.7
|
0.5
|
CE2
|
A:TYR340
|
3.8
|
17.9
|
1.0
|
CHD
|
A:HEM501
|
3.9
|
16.5
|
0.5
|
C3A
|
A:HEM501
|
4.0
|
15.0
|
0.5
|
NE
|
A:ARG336
|
4.1
|
17.1
|
1.0
|
C2C
|
A:HEM502
|
4.2
|
16.7
|
0.5
|
C3C
|
A:HEM502
|
4.2
|
16.3
|
0.5
|
C2A
|
A:HEM501
|
4.2
|
14.7
|
0.5
|
C2D
|
A:HEM502
|
4.2
|
16.0
|
0.5
|
C3A
|
A:HEM502
|
4.2
|
17.3
|
0.5
|
C3D
|
A:HEM502
|
4.2
|
15.8
|
0.5
|
CZ
|
A:PHE143
|
4.2
|
18.4
|
1.0
|
C2A
|
A:HEM502
|
4.2
|
16.6
|
0.5
|
C1
|
A:PYG504
|
4.3
|
35.2
|
1.0
|
C2B
|
A:HEM502
|
4.3
|
18.4
|
0.5
|
C3B
|
A:HEM502
|
4.3
|
18.4
|
0.5
|
NH2
|
A:ARG336
|
4.3
|
19.8
|
1.0
|
C2C
|
A:HEM501
|
4.4
|
16.7
|
0.5
|
C3C
|
A:HEM501
|
4.5
|
16.7
|
0.5
|
CG2
|
A:VAL56
|
4.6
|
17.3
|
1.0
|
C3D
|
A:HEM501
|
4.6
|
14.9
|
0.5
|
C2D
|
A:HEM501
|
4.7
|
15.8
|
0.5
|
CZ
|
A:ARG336
|
4.7
|
18.0
|
1.0
|
O2
|
A:PYG504
|
4.8
|
27.8
|
1.0
|
CE2
|
A:PHE143
|
4.8
|
17.7
|
1.0
|
NE2
|
A:HIS57
|
4.9
|
17.1
|
1.0
|
CE1
|
A:PHE143
|
4.9
|
19.9
|
1.0
|
CD2
|
A:HIS57
|
4.9
|
16.3
|
1.0
|
CD1
|
A:TYR340
|
4.9
|
16.3
|
1.0
|
|
Iron binding site 3 out
of 8 in 4qom
Go back to
Iron Binding Sites List in 4qom
Iron binding site 3 out
of 8 in the Bacillus Pumilus Catalase with Pyrogallol Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Bacillus Pumilus Catalase with Pyrogallol Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe501
b:23.4
occ:0.50
|
FE
|
B:HEM501
|
0.0
|
23.4
|
0.5
|
FE
|
B:HEM502
|
0.5
|
13.2
|
0.5
|
ND
|
B:HEM501
|
1.9
|
17.3
|
0.5
|
NB
|
B:HEM502
|
2.0
|
13.6
|
0.5
|
NC
|
B:HEM502
|
2.0
|
13.3
|
0.5
|
NA
|
B:HEM501
|
2.0
|
18.1
|
0.5
|
NB
|
B:HEM501
|
2.0
|
18.4
|
0.5
|
NC
|
B:HEM501
|
2.1
|
18.2
|
0.5
|
ND
|
B:HEM502
|
2.1
|
12.9
|
0.5
|
NA
|
B:HEM502
|
2.1
|
12.6
|
0.5
|
OH
|
B:TYR340
|
2.3
|
14.2
|
1.0
|
O3
|
B:PYG504
|
2.6
|
34.7
|
1.0
|
C4B
|
B:HEM502
|
2.9
|
13.1
|
0.5
|
C1D
|
B:HEM501
|
2.9
|
17.5
|
0.5
|
C4D
|
B:HEM501
|
2.9
|
18.1
|
0.5
|
C1C
|
B:HEM502
|
3.0
|
14.1
|
0.5
|
C1B
|
B:HEM501
|
3.0
|
19.1
|
0.5
|
C4B
|
B:HEM501
|
3.0
|
19.6
|
0.5
|
C4C
|
B:HEM502
|
3.0
|
13.5
|
0.5
|
C1B
|
B:HEM502
|
3.0
|
13.2
|
0.5
|
C4C
|
B:HEM501
|
3.0
|
17.9
|
0.5
|
C1C
|
B:HEM501
|
3.1
|
18.1
|
0.5
|
C1A
|
B:HEM501
|
3.1
|
17.7
|
0.5
|
C4A
|
B:HEM501
|
3.1
|
17.9
|
0.5
|
C4A
|
B:HEM502
|
3.1
|
12.8
|
0.5
|
C1D
|
B:HEM502
|
3.1
|
12.7
|
0.5
|
C4D
|
B:HEM502
|
3.2
|
12.4
|
0.5
|
C1A
|
B:HEM502
|
3.2
|
12.8
|
0.5
|
CHC
|
B:HEM502
|
3.3
|
13.4
|
0.5
|
CZ
|
B:TYR340
|
3.3
|
14.5
|
1.0
|
CHD
|
B:HEM501
|
3.4
|
17.5
|
0.5
|
CHC
|
B:HEM501
|
3.4
|
18.9
|
0.5
|
CHB
|
B:HEM501
|
3.4
|
18.2
|
0.5
|
CHA
|
B:HEM501
|
3.5
|
17.8
|
0.5
|
CHB
|
B:HEM502
|
3.5
|
13.0
|
0.5
|
CHD
|
B:HEM502
|
3.5
|
13.0
|
0.5
|
CHA
|
B:HEM502
|
3.6
|
12.5
|
0.5
|
C3
|
B:PYG504
|
4.0
|
32.9
|
1.0
|
CE2
|
B:TYR340
|
4.0
|
14.4
|
1.0
|
CE1
|
B:TYR340
|
4.1
|
13.6
|
1.0
|
C2D
|
B:HEM501
|
4.1
|
17.0
|
0.5
|
C3B
|
B:HEM502
|
4.2
|
13.4
|
0.5
|
C2C
|
B:HEM502
|
4.2
|
14.0
|
0.5
|
C3C
|
B:HEM502
|
4.2
|
13.3
|
0.5
|
C2B
|
B:HEM501
|
4.2
|
18.0
|
0.5
|
C3C
|
B:HEM501
|
4.2
|
18.2
|
0.5
|
C3D
|
B:HEM501
|
4.2
|
16.2
|
0.5
|
C2C
|
B:HEM501
|
4.2
|
18.6
|
0.5
|
C3B
|
B:HEM501
|
4.2
|
19.2
|
0.5
|
C2B
|
B:HEM502
|
4.2
|
13.3
|
0.5
|
CZ
|
B:PHE143
|
4.2
|
16.3
|
1.0
|
C2A
|
B:HEM501
|
4.3
|
16.9
|
0.5
|
C3A
|
B:HEM501
|
4.3
|
17.4
|
0.5
|
NE
|
B:ARG336
|
4.3
|
15.4
|
1.0
|
C3A
|
B:HEM502
|
4.3
|
12.4
|
0.5
|
C2A
|
B:HEM502
|
4.4
|
12.1
|
0.5
|
C2D
|
B:HEM502
|
4.4
|
12.6
|
0.5
|
C3D
|
B:HEM502
|
4.4
|
12.1
|
0.5
|
NE2
|
B:HIS57
|
4.4
|
14.3
|
1.0
|
NH2
|
B:ARG336
|
4.5
|
14.9
|
1.0
|
O2
|
B:PYG504
|
4.5
|
27.4
|
1.0
|
CG2
|
B:VAL56
|
4.5
|
15.0
|
1.0
|
CD2
|
B:HIS57
|
4.5
|
15.0
|
1.0
|
C2
|
B:PYG504
|
4.8
|
28.6
|
1.0
|
CE1
|
B:PHE143
|
4.8
|
18.3
|
1.0
|
CZ
|
B:ARG336
|
4.8
|
15.9
|
1.0
|
CE2
|
B:PHE143
|
4.9
|
14.9
|
1.0
|
C4
|
B:PYG504
|
5.0
|
35.2
|
1.0
|
|
Iron binding site 4 out
of 8 in 4qom
Go back to
Iron Binding Sites List in 4qom
Iron binding site 4 out
of 8 in the Bacillus Pumilus Catalase with Pyrogallol Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Bacillus Pumilus Catalase with Pyrogallol Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe502
b:13.2
occ:0.50
|
FE
|
B:HEM502
|
0.0
|
13.2
|
0.5
|
FE
|
B:HEM501
|
0.5
|
23.4
|
0.5
|
OH
|
B:TYR340
|
1.8
|
14.2
|
1.0
|
ND
|
B:HEM501
|
1.9
|
17.3
|
0.5
|
ND
|
B:HEM502
|
1.9
|
12.9
|
0.5
|
NA
|
B:HEM501
|
1.9
|
18.1
|
0.5
|
NA
|
B:HEM502
|
2.0
|
12.6
|
0.5
|
NC
|
B:HEM502
|
2.1
|
13.3
|
0.5
|
NB
|
B:HEM502
|
2.1
|
13.6
|
0.5
|
NB
|
B:HEM501
|
2.2
|
18.4
|
0.5
|
NC
|
B:HEM501
|
2.3
|
18.2
|
0.5
|
CZ
|
B:TYR340
|
2.8
|
14.5
|
1.0
|
C4D
|
B:HEM501
|
2.9
|
18.1
|
0.5
|
C1D
|
B:HEM501
|
2.9
|
17.5
|
0.5
|
C1A
|
B:HEM501
|
2.9
|
17.7
|
0.5
|
C1D
|
B:HEM502
|
3.0
|
12.7
|
0.5
|
C4D
|
B:HEM502
|
3.0
|
12.4
|
0.5
|
C4A
|
B:HEM501
|
3.0
|
17.9
|
0.5
|
C4C
|
B:HEM502
|
3.0
|
13.5
|
0.5
|
C1B
|
B:HEM501
|
3.0
|
19.1
|
0.5
|
C4B
|
B:HEM502
|
3.0
|
13.1
|
0.5
|
C4A
|
B:HEM502
|
3.0
|
12.8
|
0.5
|
C1A
|
B:HEM502
|
3.1
|
12.8
|
0.5
|
C1B
|
B:HEM502
|
3.1
|
13.2
|
0.5
|
C1C
|
B:HEM502
|
3.1
|
14.1
|
0.5
|
O3
|
B:PYG504
|
3.1
|
34.7
|
1.0
|
C4C
|
B:HEM501
|
3.1
|
17.9
|
0.5
|
C4B
|
B:HEM501
|
3.2
|
19.6
|
0.5
|
C1C
|
B:HEM501
|
3.2
|
18.1
|
0.5
|
CHA
|
B:HEM501
|
3.4
|
17.8
|
0.5
|
CHD
|
B:HEM502
|
3.4
|
13.0
|
0.5
|
CHB
|
B:HEM501
|
3.4
|
18.2
|
0.5
|
CHD
|
B:HEM501
|
3.4
|
17.5
|
0.5
|
CHB
|
B:HEM502
|
3.4
|
13.0
|
0.5
|
CHC
|
B:HEM502
|
3.5
|
13.4
|
0.5
|
CHA
|
B:HEM502
|
3.5
|
12.5
|
0.5
|
CE2
|
B:TYR340
|
3.6
|
14.4
|
1.0
|
CE1
|
B:TYR340
|
3.6
|
13.6
|
1.0
|
CHC
|
B:HEM501
|
3.6
|
18.9
|
0.5
|
NE
|
B:ARG336
|
4.1
|
15.4
|
1.0
|
C2D
|
B:HEM501
|
4.1
|
17.0
|
0.5
|
C3D
|
B:HEM501
|
4.1
|
16.2
|
0.5
|
C2A
|
B:HEM501
|
4.1
|
16.9
|
0.5
|
NH2
|
B:ARG336
|
4.2
|
14.9
|
1.0
|
C3A
|
B:HEM501
|
4.2
|
17.4
|
0.5
|
C3C
|
B:HEM502
|
4.2
|
13.3
|
0.5
|
C3A
|
B:HEM502
|
4.2
|
12.4
|
0.5
|
C2C
|
B:HEM502
|
4.2
|
14.0
|
0.5
|
C2B
|
B:HEM501
|
4.2
|
18.0
|
0.5
|
C2A
|
B:HEM502
|
4.2
|
12.1
|
0.5
|
C2D
|
B:HEM502
|
4.3
|
12.6
|
0.5
|
C3C
|
B:HEM501
|
4.3
|
18.2
|
0.5
|
C3D
|
B:HEM502
|
4.3
|
12.1
|
0.5
|
C2B
|
B:HEM502
|
4.3
|
13.3
|
0.5
|
C3B
|
B:HEM502
|
4.3
|
13.4
|
0.5
|
C2C
|
B:HEM501
|
4.3
|
18.6
|
0.5
|
C3B
|
B:HEM501
|
4.3
|
19.2
|
0.5
|
C3
|
B:PYG504
|
4.5
|
32.9
|
1.0
|
CZ
|
B:ARG336
|
4.5
|
15.9
|
1.0
|
CZ
|
B:PHE143
|
4.6
|
16.3
|
1.0
|
NE2
|
B:HIS57
|
4.7
|
14.3
|
1.0
|
CG2
|
B:VAL56
|
4.8
|
15.0
|
1.0
|
CD2
|
B:HIS57
|
4.8
|
15.0
|
1.0
|
CD2
|
B:TYR340
|
4.8
|
14.1
|
1.0
|
CD1
|
B:TYR340
|
4.8
|
14.9
|
1.0
|
O2
|
B:PYG504
|
4.9
|
27.4
|
1.0
|
|
Iron binding site 5 out
of 8 in 4qom
Go back to
Iron Binding Sites List in 4qom
Iron binding site 5 out
of 8 in the Bacillus Pumilus Catalase with Pyrogallol Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Bacillus Pumilus Catalase with Pyrogallol Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe501
b:17.9
occ:0.50
|
FE
|
C:HEM501
|
0.0
|
17.9
|
0.5
|
FE
|
C:HEM502
|
0.5
|
13.2
|
0.5
|
NA
|
C:HEM502
|
1.7
|
13.3
|
0.5
|
ND
|
C:HEM502
|
1.9
|
12.4
|
0.5
|
ND
|
C:HEM501
|
1.9
|
13.4
|
0.5
|
NA
|
C:HEM501
|
2.0
|
12.9
|
0.5
|
NC
|
C:HEM501
|
2.1
|
14.7
|
0.5
|
NB
|
C:HEM501
|
2.1
|
14.3
|
0.5
|
OH
|
C:TYR340
|
2.2
|
13.6
|
1.0
|
NB
|
C:HEM502
|
2.2
|
13.0
|
0.5
|
NC
|
C:HEM502
|
2.4
|
12.6
|
0.5
|
C1A
|
C:HEM502
|
2.7
|
12.3
|
0.5
|
O3
|
C:PYG504
|
2.8
|
31.0
|
1.0
|
C4D
|
C:HEM502
|
2.8
|
12.3
|
0.5
|
C4A
|
C:HEM502
|
2.8
|
12.5
|
0.5
|
C1D
|
C:HEM501
|
2.9
|
13.0
|
0.5
|
C4D
|
C:HEM501
|
2.9
|
12.7
|
0.5
|
C1D
|
C:HEM502
|
3.0
|
12.3
|
0.5
|
C1A
|
C:HEM501
|
3.0
|
12.9
|
0.5
|
C4A
|
C:HEM501
|
3.1
|
13.2
|
0.5
|
C4C
|
C:HEM501
|
3.1
|
14.2
|
0.5
|
C4B
|
C:HEM501
|
3.1
|
14.2
|
0.5
|
C1B
|
C:HEM502
|
3.1
|
12.7
|
0.5
|
C1B
|
C:HEM501
|
3.1
|
14.4
|
0.5
|
CZ
|
C:TYR340
|
3.1
|
13.8
|
1.0
|
CHA
|
C:HEM502
|
3.1
|
12.1
|
0.5
|
C1C
|
C:HEM501
|
3.1
|
14.1
|
0.5
|
C4B
|
C:HEM502
|
3.3
|
12.3
|
0.5
|
CHB
|
C:HEM502
|
3.3
|
13.0
|
0.5
|
C4C
|
C:HEM502
|
3.4
|
12.5
|
0.5
|
CHD
|
C:HEM501
|
3.4
|
14.0
|
0.5
|
CHA
|
C:HEM501
|
3.4
|
12.4
|
0.5
|
C1C
|
C:HEM502
|
3.5
|
12.5
|
0.5
|
CHB
|
C:HEM501
|
3.5
|
13.5
|
0.5
|
CHC
|
C:HEM501
|
3.5
|
13.9
|
0.5
|
CHD
|
C:HEM502
|
3.6
|
12.5
|
0.5
|
CHC
|
C:HEM502
|
3.8
|
12.2
|
0.5
|
CE2
|
C:TYR340
|
3.8
|
13.4
|
1.0
|
C2A
|
C:HEM502
|
3.9
|
12.4
|
0.5
|
C3A
|
C:HEM502
|
3.9
|
12.3
|
0.5
|
CE1
|
C:TYR340
|
4.0
|
12.9
|
1.0
|
C3D
|
C:HEM502
|
4.1
|
12.0
|
0.5
|
C3
|
C:PYG504
|
4.2
|
29.6
|
1.0
|
C2D
|
C:HEM501
|
4.2
|
12.5
|
0.5
|
C3D
|
C:HEM501
|
4.2
|
12.1
|
0.5
|
C2D
|
C:HEM502
|
4.2
|
12.3
|
0.5
|
C2A
|
C:HEM501
|
4.2
|
12.6
|
0.5
|
C3C
|
C:HEM501
|
4.2
|
14.7
|
0.5
|
C3A
|
C:HEM501
|
4.3
|
12.7
|
0.5
|
C2C
|
C:HEM501
|
4.3
|
14.3
|
0.5
|
C2B
|
C:HEM501
|
4.3
|
14.0
|
0.5
|
C2B
|
C:HEM502
|
4.3
|
12.6
|
0.5
|
C3B
|
C:HEM501
|
4.3
|
14.1
|
0.5
|
NE2
|
C:HIS57
|
4.4
|
13.8
|
1.0
|
CG2
|
C:VAL56
|
4.4
|
13.9
|
1.0
|
NE
|
C:ARG336
|
4.4
|
14.8
|
1.0
|
C3B
|
C:HEM502
|
4.4
|
12.3
|
0.5
|
CD2
|
C:HIS57
|
4.4
|
13.6
|
1.0
|
NH2
|
C:ARG336
|
4.4
|
14.5
|
1.0
|
O2
|
C:PYG504
|
4.5
|
20.2
|
1.0
|
CZ
|
C:PHE143
|
4.5
|
14.0
|
1.0
|
C3C
|
C:HEM502
|
4.6
|
12.5
|
0.5
|
C2C
|
C:HEM502
|
4.7
|
12.1
|
0.5
|
CZ
|
C:ARG336
|
4.8
|
14.4
|
1.0
|
C2
|
C:PYG504
|
4.9
|
27.3
|
1.0
|
|
Iron binding site 6 out
of 8 in 4qom
Go back to
Iron Binding Sites List in 4qom
Iron binding site 6 out
of 8 in the Bacillus Pumilus Catalase with Pyrogallol Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Bacillus Pumilus Catalase with Pyrogallol Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe502
b:13.2
occ:0.50
|
FE
|
C:HEM502
|
0.0
|
13.2
|
0.5
|
FE
|
C:HEM501
|
0.5
|
17.9
|
0.5
|
NB
|
C:HEM501
|
1.8
|
14.3
|
0.5
|
OH
|
C:TYR340
|
1.8
|
13.6
|
1.0
|
ND
|
C:HEM502
|
2.0
|
12.4
|
0.5
|
NC
|
C:HEM501
|
2.0
|
14.7
|
0.5
|
NA
|
C:HEM502
|
2.0
|
13.3
|
0.5
|
NB
|
C:HEM502
|
2.1
|
13.0
|
0.5
|
NC
|
C:HEM502
|
2.1
|
12.6
|
0.5
|
NA
|
C:HEM501
|
2.2
|
12.9
|
0.5
|
ND
|
C:HEM501
|
2.3
|
13.4
|
0.5
|
C4B
|
C:HEM501
|
2.7
|
14.2
|
0.5
|
C1B
|
C:HEM501
|
2.8
|
14.4
|
0.5
|
CZ
|
C:TYR340
|
2.9
|
13.8
|
1.0
|
C1C
|
C:HEM501
|
2.9
|
14.1
|
0.5
|
C1D
|
C:HEM502
|
3.0
|
12.3
|
0.5
|
C4B
|
C:HEM502
|
3.0
|
12.3
|
0.5
|
C4D
|
C:HEM502
|
3.0
|
12.3
|
0.5
|
C1A
|
C:HEM502
|
3.0
|
12.3
|
0.5
|
C1B
|
C:HEM502
|
3.0
|
12.7
|
0.5
|
C4A
|
C:HEM502
|
3.1
|
12.5
|
0.5
|
C4A
|
C:HEM501
|
3.1
|
13.2
|
0.5
|
C4C
|
C:HEM502
|
3.1
|
12.5
|
0.5
|
C4C
|
C:HEM501
|
3.1
|
14.2
|
0.5
|
C1C
|
C:HEM502
|
3.1
|
12.5
|
0.5
|
O3
|
C:PYG504
|
3.1
|
31.0
|
1.0
|
C1D
|
C:HEM501
|
3.2
|
13.0
|
0.5
|
CHC
|
C:HEM501
|
3.2
|
13.9
|
0.5
|
C1A
|
C:HEM501
|
3.3
|
12.9
|
0.5
|
C4D
|
C:HEM501
|
3.3
|
12.7
|
0.5
|
CHB
|
C:HEM501
|
3.3
|
13.5
|
0.5
|
CHD
|
C:HEM502
|
3.4
|
12.5
|
0.5
|
CHB
|
C:HEM502
|
3.4
|
13.0
|
0.5
|
CHC
|
C:HEM502
|
3.5
|
12.2
|
0.5
|
CHA
|
C:HEM502
|
3.5
|
12.1
|
0.5
|
CHD
|
C:HEM501
|
3.5
|
14.0
|
0.5
|
CE1
|
C:TYR340
|
3.6
|
12.9
|
1.0
|
CE2
|
C:TYR340
|
3.7
|
13.4
|
1.0
|
CHA
|
C:HEM501
|
3.7
|
12.4
|
0.5
|
NE
|
C:ARG336
|
4.0
|
14.8
|
1.0
|
C2B
|
C:HEM501
|
4.0
|
14.0
|
0.5
|
C3B
|
C:HEM501
|
4.0
|
14.1
|
0.5
|
C2C
|
C:HEM501
|
4.1
|
14.3
|
0.5
|
NH2
|
C:ARG336
|
4.2
|
14.5
|
1.0
|
C3C
|
C:HEM501
|
4.2
|
14.7
|
0.5
|
C2A
|
C:HEM502
|
4.2
|
12.4
|
0.5
|
C3A
|
C:HEM502
|
4.2
|
12.3
|
0.5
|
C3B
|
C:HEM502
|
4.2
|
12.3
|
0.5
|
C3C
|
C:HEM502
|
4.2
|
12.5
|
0.5
|
C2B
|
C:HEM502
|
4.2
|
12.6
|
0.5
|
C2D
|
C:HEM502
|
4.2
|
12.3
|
0.5
|
C3D
|
C:HEM502
|
4.3
|
12.0
|
0.5
|
C2C
|
C:HEM502
|
4.3
|
12.1
|
0.5
|
C3A
|
C:HEM501
|
4.3
|
12.7
|
0.5
|
C3
|
C:PYG504
|
4.4
|
29.6
|
1.0
|
C2A
|
C:HEM501
|
4.4
|
12.6
|
0.5
|
CZ
|
C:ARG336
|
4.5
|
14.4
|
1.0
|
C2D
|
C:HEM501
|
4.5
|
12.5
|
0.5
|
CZ
|
C:PHE143
|
4.5
|
14.0
|
1.0
|
C3D
|
C:HEM501
|
4.5
|
12.1
|
0.5
|
O2
|
C:PYG504
|
4.8
|
20.2
|
1.0
|
CG2
|
C:VAL56
|
4.8
|
13.9
|
1.0
|
NE2
|
C:HIS57
|
4.8
|
13.8
|
1.0
|
CD1
|
C:TYR340
|
4.8
|
13.6
|
1.0
|
CD2
|
C:TYR340
|
4.9
|
14.1
|
1.0
|
CD2
|
C:HIS57
|
4.9
|
13.6
|
1.0
|
CD
|
C:ARG336
|
4.9
|
13.7
|
1.0
|
|
Iron binding site 7 out
of 8 in 4qom
Go back to
Iron Binding Sites List in 4qom
Iron binding site 7 out
of 8 in the Bacillus Pumilus Catalase with Pyrogallol Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Bacillus Pumilus Catalase with Pyrogallol Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe501
b:23.7
occ:0.50
|
FE
|
D:HEM501
|
0.0
|
23.7
|
0.5
|
FE
|
D:HEM502
|
0.4
|
13.8
|
0.5
|
ND
|
D:HEM502
|
1.8
|
12.7
|
0.5
|
ND
|
D:HEM501
|
1.9
|
16.2
|
0.5
|
NA
|
D:HEM501
|
2.0
|
17.1
|
0.5
|
NC
|
D:HEM502
|
2.1
|
12.9
|
0.5
|
NB
|
D:HEM501
|
2.1
|
17.9
|
0.5
|
NC
|
D:HEM501
|
2.1
|
17.9
|
0.5
|
NA
|
D:HEM502
|
2.1
|
12.3
|
0.5
|
OH
|
D:TYR340
|
2.2
|
14.9
|
1.0
|
NB
|
D:HEM502
|
2.3
|
13.1
|
0.5
|
O3
|
D:PYG504
|
2.6
|
33.0
|
1.0
|
C1D
|
D:HEM502
|
2.7
|
12.4
|
0.5
|
C4D
|
D:HEM502
|
2.9
|
12.5
|
0.5
|
C1D
|
D:HEM501
|
2.9
|
16.4
|
0.5
|
C4C
|
D:HEM502
|
3.0
|
12.5
|
0.5
|
C4D
|
D:HEM501
|
3.0
|
16.6
|
0.5
|
C4B
|
D:HEM501
|
3.0
|
18.4
|
0.5
|
C4A
|
D:HEM501
|
3.0
|
16.8
|
0.5
|
C1B
|
D:HEM501
|
3.0
|
17.2
|
0.5
|
C1A
|
D:HEM501
|
3.0
|
16.2
|
0.5
|
C1A
|
D:HEM502
|
3.1
|
12.6
|
0.5
|
C4C
|
D:HEM501
|
3.1
|
17.7
|
0.5
|
C1C
|
D:HEM502
|
3.1
|
13.1
|
0.5
|
CZ
|
D:TYR340
|
3.2
|
15.5
|
1.0
|
C1C
|
D:HEM501
|
3.2
|
18.1
|
0.5
|
C4B
|
D:HEM502
|
3.2
|
13.0
|
0.5
|
C4A
|
D:HEM502
|
3.2
|
12.5
|
0.5
|
CHD
|
D:HEM502
|
3.2
|
12.1
|
0.5
|
C1B
|
D:HEM502
|
3.3
|
12.9
|
0.5
|
CHA
|
D:HEM502
|
3.4
|
12.1
|
0.5
|
CHA
|
D:HEM501
|
3.4
|
16.0
|
0.5
|
CHB
|
D:HEM501
|
3.4
|
16.4
|
0.5
|
CHD
|
D:HEM501
|
3.4
|
16.5
|
0.5
|
CHC
|
D:HEM501
|
3.5
|
17.9
|
0.5
|
CHC
|
D:HEM502
|
3.6
|
13.0
|
0.5
|
CHB
|
D:HEM502
|
3.7
|
12.6
|
0.5
|
CE2
|
D:TYR340
|
3.8
|
14.7
|
1.0
|
CE1
|
D:TYR340
|
4.0
|
14.4
|
1.0
|
C2D
|
D:HEM502
|
4.0
|
12.0
|
0.5
|
C3
|
D:PYG504
|
4.0
|
33.8
|
1.0
|
C3D
|
D:HEM502
|
4.1
|
12.3
|
0.5
|
C3C
|
D:HEM502
|
4.2
|
12.6
|
0.5
|
C2D
|
D:HEM501
|
4.2
|
15.3
|
0.5
|
C3A
|
D:HEM501
|
4.2
|
15.5
|
0.5
|
C2A
|
D:HEM501
|
4.2
|
16.0
|
0.5
|
C3D
|
D:HEM501
|
4.2
|
15.3
|
0.5
|
C2B
|
D:HEM501
|
4.2
|
17.0
|
0.5
|
C3B
|
D:HEM501
|
4.2
|
18.4
|
0.5
|
C2C
|
D:HEM502
|
4.3
|
13.4
|
0.5
|
CZ
|
D:PHE143
|
4.3
|
16.1
|
1.0
|
C2A
|
D:HEM502
|
4.3
|
12.2
|
0.5
|
C3C
|
D:HEM501
|
4.3
|
18.6
|
0.5
|
CG2
|
D:VAL56
|
4.3
|
16.0
|
1.0
|
C2C
|
D:HEM501
|
4.3
|
17.4
|
0.5
|
C3A
|
D:HEM502
|
4.4
|
11.8
|
0.5
|
NE
|
D:ARG336
|
4.4
|
16.8
|
1.0
|
C3B
|
D:HEM502
|
4.5
|
12.8
|
0.5
|
C2B
|
D:HEM502
|
4.5
|
13.2
|
0.5
|
CD2
|
D:HIS57
|
4.5
|
15.8
|
1.0
|
NH2
|
D:ARG336
|
4.5
|
14.6
|
1.0
|
NE2
|
D:HIS57
|
4.6
|
17.5
|
1.0
|
O2
|
D:PYG504
|
4.6
|
21.8
|
1.0
|
C2
|
D:PYG504
|
4.9
|
30.9
|
1.0
|
CZ
|
D:ARG336
|
4.9
|
16.8
|
1.0
|
CE1
|
D:PHE143
|
4.9
|
17.8
|
1.0
|
CE2
|
D:PHE143
|
4.9
|
16.2
|
1.0
|
|
Iron binding site 8 out
of 8 in 4qom
Go back to
Iron Binding Sites List in 4qom
Iron binding site 8 out
of 8 in the Bacillus Pumilus Catalase with Pyrogallol Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Bacillus Pumilus Catalase with Pyrogallol Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe502
b:13.8
occ:0.50
|
FE
|
D:HEM502
|
0.0
|
13.8
|
0.5
|
FE
|
D:HEM501
|
0.4
|
23.7
|
0.5
|
OH
|
D:TYR340
|
1.8
|
14.9
|
1.0
|
ND
|
D:HEM502
|
1.9
|
12.7
|
0.5
|
ND
|
D:HEM501
|
1.9
|
16.2
|
0.5
|
NC
|
D:HEM501
|
2.0
|
17.9
|
0.5
|
NA
|
D:HEM502
|
2.1
|
12.3
|
0.5
|
NC
|
D:HEM502
|
2.1
|
12.9
|
0.5
|
NB
|
D:HEM502
|
2.1
|
13.1
|
0.5
|
NB
|
D:HEM501
|
2.1
|
17.9
|
0.5
|
NA
|
D:HEM501
|
2.2
|
17.1
|
0.5
|
C1D
|
D:HEM501
|
2.8
|
16.4
|
0.5
|
CZ
|
D:TYR340
|
2.8
|
15.5
|
1.0
|
C1D
|
D:HEM502
|
2.9
|
12.4
|
0.5
|
C4C
|
D:HEM501
|
2.9
|
17.7
|
0.5
|
O3
|
D:PYG504
|
3.0
|
33.0
|
1.0
|
C4B
|
D:HEM501
|
3.0
|
18.4
|
0.5
|
C4D
|
D:HEM502
|
3.0
|
12.5
|
0.5
|
C1C
|
D:HEM501
|
3.0
|
18.1
|
0.5
|
C1B
|
D:HEM502
|
3.0
|
12.9
|
0.5
|
C4D
|
D:HEM501
|
3.0
|
16.6
|
0.5
|
C4C
|
D:HEM502
|
3.0
|
12.5
|
0.5
|
C4B
|
D:HEM502
|
3.0
|
13.0
|
0.5
|
C4A
|
D:HEM502
|
3.1
|
12.5
|
0.5
|
C1A
|
D:HEM502
|
3.1
|
12.6
|
0.5
|
C1C
|
D:HEM502
|
3.1
|
13.1
|
0.5
|
C1B
|
D:HEM501
|
3.1
|
17.2
|
0.5
|
C1A
|
D:HEM501
|
3.2
|
16.2
|
0.5
|
C4A
|
D:HEM501
|
3.2
|
16.8
|
0.5
|
CHD
|
D:HEM501
|
3.3
|
16.5
|
0.5
|
CHD
|
D:HEM502
|
3.4
|
12.1
|
0.5
|
CHC
|
D:HEM501
|
3.4
|
17.9
|
0.5
|
CHA
|
D:HEM502
|
3.5
|
12.1
|
0.5
|
CHB
|
D:HEM502
|
3.5
|
12.6
|
0.5
|
CHC
|
D:HEM502
|
3.5
|
13.0
|
0.5
|
CHA
|
D:HEM501
|
3.5
|
16.0
|
0.5
|
CE2
|
D:TYR340
|
3.6
|
14.7
|
1.0
|
CHB
|
D:HEM501
|
3.6
|
16.4
|
0.5
|
CE1
|
D:TYR340
|
3.7
|
14.4
|
1.0
|
NE
|
D:ARG336
|
4.0
|
16.8
|
1.0
|
NH2
|
D:ARG336
|
4.1
|
14.6
|
1.0
|
C3C
|
D:HEM501
|
4.1
|
18.6
|
0.5
|
C2D
|
D:HEM501
|
4.1
|
15.3
|
0.5
|
C2C
|
D:HEM501
|
4.1
|
17.4
|
0.5
|
C2D
|
D:HEM502
|
4.2
|
12.0
|
0.5
|
C3D
|
D:HEM502
|
4.2
|
12.3
|
0.5
|
C3C
|
D:HEM502
|
4.2
|
12.6
|
0.5
|
C3D
|
D:HEM501
|
4.2
|
15.3
|
0.5
|
C3A
|
D:HEM502
|
4.3
|
11.8
|
0.5
|
C3B
|
D:HEM501
|
4.3
|
18.4
|
0.5
|
C2B
|
D:HEM502
|
4.3
|
13.2
|
0.5
|
C2C
|
D:HEM502
|
4.3
|
13.4
|
0.5
|
C3B
|
D:HEM502
|
4.3
|
12.8
|
0.5
|
C2A
|
D:HEM502
|
4.3
|
12.2
|
0.5
|
C2B
|
D:HEM501
|
4.3
|
17.0
|
0.5
|
C3
|
D:PYG504
|
4.3
|
33.8
|
1.0
|
C3A
|
D:HEM501
|
4.4
|
15.5
|
0.5
|
C2A
|
D:HEM501
|
4.4
|
16.0
|
0.5
|
CZ
|
D:ARG336
|
4.5
|
16.8
|
1.0
|
CZ
|
D:PHE143
|
4.6
|
16.1
|
1.0
|
CG2
|
D:VAL56
|
4.7
|
16.0
|
1.0
|
CD2
|
D:HIS57
|
4.8
|
15.8
|
1.0
|
NE2
|
D:HIS57
|
4.8
|
17.5
|
1.0
|
O2
|
D:PYG504
|
4.8
|
21.8
|
1.0
|
CD2
|
D:TYR340
|
4.9
|
14.4
|
1.0
|
CD1
|
D:TYR340
|
4.9
|
15.3
|
1.0
|
|
Reference:
P.C.Loewen,
J.Villanueva,
J.Switala,
L.J.Donald,
A.Ivancich.
Unprecedented Access of Phenolic Substrates to the Heme Active Site of A Catalase: Substrate Binding and Peroxidase-Like Reactivity of Bacillus Pumilus Catalase Monitored By X-Ray Crystallography and Epr Spectroscopy. Proteins 2015.
ISSN: ESSN 1097-0134
PubMed: 25663126
DOI: 10.1002/PROT.24777
Page generated: Mon Aug 5 08:49:31 2024
|