Iron in PDB 5a13: Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
Enzymatic activity of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
All present enzymatic activity of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate:
1.13.11.49;
Protein crystallography data
The structure of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate, PDB code: 5a13
was solved by
H.D.Correia,
T.Santos-Silva,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
49.11 /
1.75
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
80.026,
124.482,
133.376,
90.00,
92.91,
90.00
|
|
R / Rfree (%)
|
15.1 /
18.3
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
(pdb code 5a13). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the
Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate, PDB code: 5a13:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 10 in 5a13
Go back to
Iron Binding Sites List in 5a13
Iron binding site 1 out
of 10 in the Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe250
b:15.4
occ:1.00
|
FE
|
A:HEM250
|
0.0
|
15.4
|
1.0
|
|
ND
|
A:HEM250
|
1.9
|
15.1
|
1.0
|
|
NA
|
A:HEM250
|
2.0
|
12.2
|
1.0
|
|
NC
|
A:HEM250
|
2.1
|
13.9
|
1.0
|
|
NB
|
A:HEM250
|
2.1
|
17.0
|
1.0
|
|
N
|
A:SCN251
|
2.1
|
15.8
|
1.0
|
|
NE2
|
A:HIS170
|
2.2
|
18.9
|
1.0
|
|
C1D
|
A:HEM250
|
2.9
|
11.2
|
1.0
|
|
C4D
|
A:HEM250
|
2.9
|
15.5
|
1.0
|
|
CE1
|
A:HIS170
|
3.0
|
18.4
|
1.0
|
|
C1A
|
A:HEM250
|
3.0
|
11.8
|
1.0
|
|
C4C
|
A:HEM250
|
3.0
|
16.7
|
1.0
|
|
C1B
|
A:HEM250
|
3.0
|
17.1
|
1.0
|
|
C4A
|
A:HEM250
|
3.0
|
15.4
|
1.0
|
|
C4B
|
A:HEM250
|
3.0
|
16.9
|
1.0
|
|
C1C
|
A:HEM250
|
3.1
|
11.0
|
1.0
|
|
C
|
A:SCN251
|
3.2
|
21.6
|
1.0
|
|
CD2
|
A:HIS170
|
3.3
|
18.9
|
1.0
|
|
CHD
|
A:HEM250
|
3.3
|
11.1
|
1.0
|
|
CHA
|
A:HEM250
|
3.4
|
15.3
|
1.0
|
|
CHB
|
A:HEM250
|
3.4
|
18.4
|
1.0
|
|
CHC
|
A:HEM250
|
3.5
|
14.4
|
1.0
|
|
NE
|
A:ARG183
|
4.1
|
33.2
|
1.0
|
|
ND1
|
A:HIS170
|
4.1
|
18.1
|
1.0
|
|
NH2
|
A:ARG183
|
4.2
|
28.2
|
1.0
|
|
C2D
|
A:HEM250
|
4.2
|
12.7
|
1.0
|
|
C3D
|
A:HEM250
|
4.2
|
12.5
|
1.0
|
|
C3C
|
A:HEM250
|
4.2
|
15.7
|
1.0
|
|
C2A
|
A:HEM250
|
4.2
|
15.5
|
1.0
|
|
C3A
|
A:HEM250
|
4.2
|
15.2
|
1.0
|
|
C2B
|
A:HEM250
|
4.3
|
23.2
|
1.0
|
|
C2C
|
A:HEM250
|
4.3
|
14.3
|
1.0
|
|
C3B
|
A:HEM250
|
4.3
|
20.9
|
1.0
|
|
CG
|
A:HIS170
|
4.3
|
15.9
|
1.0
|
|
CZ
|
A:ARG183
|
4.6
|
24.6
|
1.0
|
|
S
|
A:SCN251
|
4.7
|
18.4
|
1.0
|
|
Iron binding site 2 out
of 10 in 5a13
Go back to
Iron Binding Sites List in 5a13
Iron binding site 2 out
of 10 in the Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe250
b:15.5
occ:1.00
|
FE
|
B:HEM250
|
0.0
|
15.5
|
1.0
|
|
ND
|
B:HEM250
|
1.9
|
16.5
|
1.0
|
|
NA
|
B:HEM250
|
2.0
|
12.7
|
1.0
|
|
NB
|
B:HEM250
|
2.1
|
17.4
|
1.0
|
|
N
|
B:SCN251
|
2.1
|
14.6
|
1.0
|
|
NC
|
B:HEM250
|
2.1
|
12.7
|
1.0
|
|
NE2
|
B:HIS170
|
2.2
|
16.8
|
1.0
|
|
C1D
|
B:HEM250
|
2.9
|
14.9
|
1.0
|
|
C4D
|
B:HEM250
|
3.0
|
17.7
|
1.0
|
|
C4C
|
B:HEM250
|
3.0
|
14.3
|
1.0
|
|
C4A
|
B:HEM250
|
3.0
|
17.4
|
1.0
|
|
C1B
|
B:HEM250
|
3.1
|
16.7
|
1.0
|
|
C4B
|
B:HEM250
|
3.1
|
17.5
|
1.0
|
|
C1A
|
B:HEM250
|
3.1
|
16.1
|
1.0
|
|
CE1
|
B:HIS170
|
3.1
|
15.9
|
1.0
|
|
C1C
|
B:HEM250
|
3.1
|
11.6
|
1.0
|
|
CD2
|
B:HIS170
|
3.2
|
17.0
|
1.0
|
|
C
|
B:SCN251
|
3.2
|
15.4
|
1.0
|
|
CHD
|
B:HEM250
|
3.4
|
15.2
|
1.0
|
|
CHB
|
B:HEM250
|
3.4
|
14.6
|
1.0
|
|
CHA
|
B:HEM250
|
3.5
|
14.6
|
1.0
|
|
CHC
|
B:HEM250
|
3.5
|
11.4
|
1.0
|
|
NE
|
B:ARG183
|
4.2
|
15.0
|
1.0
|
|
C2D
|
B:HEM250
|
4.2
|
14.0
|
1.0
|
|
ND1
|
B:HIS170
|
4.2
|
15.4
|
1.0
|
|
C3D
|
B:HEM250
|
4.2
|
17.3
|
1.0
|
|
C2B
|
B:HEM250
|
4.2
|
21.1
|
1.0
|
|
C3C
|
B:HEM250
|
4.3
|
11.2
|
1.0
|
|
C3A
|
B:HEM250
|
4.3
|
15.1
|
1.0
|
|
C2C
|
B:HEM250
|
4.3
|
11.2
|
1.0
|
|
C3B
|
B:HEM250
|
4.3
|
14.2
|
1.0
|
|
C2A
|
B:HEM250
|
4.3
|
13.7
|
1.0
|
|
CG
|
B:HIS170
|
4.3
|
16.3
|
1.0
|
|
NH2
|
B:ARG183
|
4.4
|
19.3
|
1.0
|
|
S
|
B:SCN251
|
4.7
|
17.9
|
1.0
|
|
CZ
|
B:ARG183
|
4.7
|
17.4
|
1.0
|
|
Iron binding site 3 out
of 10 in 5a13
Go back to
Iron Binding Sites List in 5a13
Iron binding site 3 out
of 10 in the Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe250
b:13.8
occ:1.00
|
FE
|
C:HEM250
|
0.0
|
13.8
|
1.0
|
|
ND
|
C:HEM250
|
1.9
|
13.9
|
1.0
|
|
NA
|
C:HEM250
|
2.0
|
13.1
|
1.0
|
|
NB
|
C:HEM250
|
2.1
|
13.1
|
1.0
|
|
NC
|
C:HEM250
|
2.1
|
11.9
|
1.0
|
|
NE2
|
C:HIS170
|
2.2
|
16.0
|
1.0
|
|
N
|
C:SCN251
|
2.2
|
18.1
|
1.0
|
|
C4D
|
C:HEM250
|
3.0
|
11.4
|
1.0
|
|
C1D
|
C:HEM250
|
3.0
|
13.0
|
1.0
|
|
C1A
|
C:HEM250
|
3.0
|
14.3
|
1.0
|
|
C4C
|
C:HEM250
|
3.0
|
13.3
|
1.0
|
|
C4A
|
C:HEM250
|
3.1
|
12.5
|
1.0
|
|
C1B
|
C:HEM250
|
3.1
|
17.5
|
1.0
|
|
C4B
|
C:HEM250
|
3.1
|
10.8
|
1.0
|
|
CE1
|
C:HIS170
|
3.1
|
12.2
|
1.0
|
|
C1C
|
C:HEM250
|
3.1
|
12.4
|
1.0
|
|
CD2
|
C:HIS170
|
3.2
|
16.7
|
1.0
|
|
NH1
|
C:ARG183
|
3.3
|
41.1
|
0.5
|
|
C
|
C:SCN251
|
3.3
|
16.6
|
1.0
|
|
CHD
|
C:HEM250
|
3.4
|
11.8
|
1.0
|
|
CHA
|
C:HEM250
|
3.4
|
14.0
|
1.0
|
|
CHB
|
C:HEM250
|
3.5
|
14.3
|
1.0
|
|
CHC
|
C:HEM250
|
3.5
|
13.4
|
1.0
|
|
ND1
|
C:HIS170
|
4.2
|
14.6
|
1.0
|
|
C2A
|
C:HEM250
|
4.2
|
15.9
|
1.0
|
|
C3D
|
C:HEM250
|
4.2
|
12.9
|
1.0
|
|
C2D
|
C:HEM250
|
4.2
|
11.6
|
1.0
|
|
C3C
|
C:HEM250
|
4.2
|
10.8
|
1.0
|
|
C3A
|
C:HEM250
|
4.2
|
11.9
|
1.0
|
|
C2C
|
C:HEM250
|
4.3
|
9.8
|
1.0
|
|
C2B
|
C:HEM250
|
4.3
|
20.0
|
1.0
|
|
CG
|
C:HIS170
|
4.3
|
15.1
|
1.0
|
|
C3B
|
C:HEM250
|
4.3
|
16.9
|
1.0
|
|
CZ
|
C:ARG183
|
4.4
|
11.1
|
0.5
|
|
S
|
C:SCN251
|
4.7
|
19.1
|
1.0
|
|
NH2
|
C:ARG183
|
4.8
|
18.0
|
0.5
|
|
Iron binding site 4 out
of 10 in 5a13
Go back to
Iron Binding Sites List in 5a13
Iron binding site 4 out
of 10 in the Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe250
b:20.4
occ:1.00
|
FE
|
D:HEM250
|
0.0
|
20.4
|
1.0
|
|
ND
|
D:HEM250
|
1.9
|
18.4
|
1.0
|
|
NA
|
D:HEM250
|
2.0
|
20.4
|
1.0
|
|
NB
|
D:HEM250
|
2.1
|
20.2
|
1.0
|
|
NC
|
D:HEM250
|
2.1
|
16.8
|
1.0
|
|
N
|
D:SCN251
|
2.1
|
25.6
|
1.0
|
|
NE2
|
D:HIS170
|
2.2
|
22.5
|
1.0
|
|
C1D
|
D:HEM250
|
2.9
|
19.3
|
1.0
|
|
C4D
|
D:HEM250
|
3.0
|
24.3
|
1.0
|
|
CE1
|
D:HIS170
|
3.0
|
17.4
|
1.0
|
|
C4C
|
D:HEM250
|
3.0
|
18.0
|
1.0
|
|
C1B
|
D:HEM250
|
3.0
|
21.2
|
1.0
|
|
C4B
|
D:HEM250
|
3.0
|
17.1
|
1.0
|
|
C1A
|
D:HEM250
|
3.0
|
23.3
|
1.0
|
|
C4A
|
D:HEM250
|
3.1
|
28.0
|
1.0
|
|
C1C
|
D:HEM250
|
3.1
|
20.2
|
1.0
|
|
C
|
D:SCN251
|
3.2
|
26.0
|
1.0
|
|
CD2
|
D:HIS170
|
3.3
|
19.5
|
1.0
|
|
CHD
|
D:HEM250
|
3.4
|
19.1
|
1.0
|
|
CHB
|
D:HEM250
|
3.4
|
22.3
|
1.0
|
|
CHA
|
D:HEM250
|
3.4
|
23.1
|
1.0
|
|
CHC
|
D:HEM250
|
3.5
|
24.8
|
1.0
|
|
NE
|
D:ARG183
|
4.1
|
23.0
|
1.0
|
|
ND1
|
D:HIS170
|
4.1
|
21.1
|
1.0
|
|
NH2
|
D:ARG183
|
4.2
|
25.6
|
1.0
|
|
C2D
|
D:HEM250
|
4.2
|
21.2
|
1.0
|
|
C3D
|
D:HEM250
|
4.2
|
18.6
|
1.0
|
|
C2B
|
D:HEM250
|
4.2
|
26.6
|
1.0
|
|
C2A
|
D:HEM250
|
4.3
|
21.9
|
1.0
|
|
C3A
|
D:HEM250
|
4.3
|
19.6
|
1.0
|
|
C3C
|
D:HEM250
|
4.3
|
21.9
|
1.0
|
|
C3B
|
D:HEM250
|
4.3
|
22.2
|
1.0
|
|
C2C
|
D:HEM250
|
4.3
|
14.6
|
1.0
|
|
CG
|
D:HIS170
|
4.3
|
21.0
|
1.0
|
|
CZ
|
D:ARG183
|
4.6
|
22.2
|
1.0
|
|
S
|
D:SCN251
|
4.7
|
23.5
|
1.0
|
|
Iron binding site 5 out
of 10 in 5a13
Go back to
Iron Binding Sites List in 5a13
Iron binding site 5 out
of 10 in the Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe250
b:14.0
occ:1.00
|
FE
|
E:HEM250
|
0.0
|
14.0
|
1.0
|
|
ND
|
E:HEM250
|
2.0
|
13.8
|
1.0
|
|
N
|
E:SCN251
|
2.0
|
13.4
|
1.0
|
|
NA
|
E:HEM250
|
2.0
|
12.2
|
1.0
|
|
NC
|
E:HEM250
|
2.1
|
11.1
|
1.0
|
|
NB
|
E:HEM250
|
2.1
|
12.7
|
1.0
|
|
NE2
|
E:HIS170
|
2.1
|
16.7
|
1.0
|
|
CE1
|
E:HIS170
|
3.0
|
13.1
|
1.0
|
|
C4B
|
E:HEM250
|
3.0
|
12.3
|
1.0
|
|
C1D
|
E:HEM250
|
3.0
|
12.6
|
1.0
|
|
C4D
|
E:HEM250
|
3.0
|
13.9
|
1.0
|
|
C1A
|
E:HEM250
|
3.0
|
17.3
|
1.0
|
|
C1B
|
E:HEM250
|
3.1
|
15.4
|
1.0
|
|
C4A
|
E:HEM250
|
3.1
|
18.1
|
1.0
|
|
C4C
|
E:HEM250
|
3.1
|
13.6
|
1.0
|
|
C1C
|
E:HEM250
|
3.1
|
14.4
|
1.0
|
|
C
|
E:SCN251
|
3.2
|
11.4
|
1.0
|
|
CD2
|
E:HIS170
|
3.2
|
14.0
|
1.0
|
|
CHC
|
E:HEM250
|
3.4
|
13.2
|
1.0
|
|
CHA
|
E:HEM250
|
3.4
|
12.6
|
1.0
|
|
CHD
|
E:HEM250
|
3.4
|
11.1
|
1.0
|
|
CHB
|
E:HEM250
|
3.5
|
13.5
|
1.0
|
|
ND1
|
E:HIS170
|
4.1
|
14.6
|
1.0
|
|
NE
|
E:ARG183
|
4.2
|
17.7
|
1.0
|
|
C2A
|
E:HEM250
|
4.2
|
13.1
|
1.0
|
|
C2B
|
E:HEM250
|
4.2
|
17.6
|
1.0
|
|
C3A
|
E:HEM250
|
4.2
|
13.9
|
1.0
|
|
C3B
|
E:HEM250
|
4.2
|
14.2
|
1.0
|
|
C3C
|
E:HEM250
|
4.3
|
13.1
|
1.0
|
|
C2D
|
E:HEM250
|
4.3
|
12.1
|
1.0
|
|
CG
|
E:HIS170
|
4.3
|
15.0
|
1.0
|
|
C3D
|
E:HEM250
|
4.3
|
13.3
|
1.0
|
|
C2C
|
E:HEM250
|
4.3
|
9.6
|
1.0
|
|
NH2
|
E:ARG183
|
4.4
|
20.2
|
1.0
|
|
S
|
E:SCN251
|
4.7
|
16.5
|
1.0
|
|
CZ
|
E:ARG183
|
4.8
|
21.5
|
1.0
|
|
Iron binding site 6 out
of 10 in 5a13
Go back to
Iron Binding Sites List in 5a13
Iron binding site 6 out
of 10 in the Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe250
b:13.0
occ:1.00
|
FE
|
F:HEM250
|
0.0
|
13.0
|
1.0
|
|
ND
|
F:HEM250
|
1.9
|
10.7
|
1.0
|
|
NA
|
F:HEM250
|
2.0
|
11.1
|
1.0
|
|
NC
|
F:HEM250
|
2.1
|
9.6
|
1.0
|
|
NB
|
F:HEM250
|
2.1
|
14.0
|
1.0
|
|
NE2
|
F:HIS170
|
2.1
|
16.3
|
1.0
|
|
N
|
F:SCN251
|
2.2
|
15.2
|
1.0
|
|
CE1
|
F:HIS170
|
2.9
|
18.0
|
1.0
|
|
C4D
|
F:HEM250
|
2.9
|
11.9
|
1.0
|
|
C1D
|
F:HEM250
|
3.0
|
13.1
|
1.0
|
|
C1A
|
F:HEM250
|
3.0
|
13.6
|
1.0
|
|
C4B
|
F:HEM250
|
3.0
|
15.8
|
1.0
|
|
C4A
|
F:HEM250
|
3.0
|
11.4
|
1.0
|
|
C4C
|
F:HEM250
|
3.0
|
13.4
|
1.0
|
|
C1B
|
F:HEM250
|
3.0
|
13.9
|
1.0
|
|
C1C
|
F:HEM250
|
3.1
|
11.1
|
1.0
|
|
CD2
|
F:HIS170
|
3.2
|
12.0
|
1.0
|
|
C
|
F:SCN251
|
3.2
|
18.6
|
1.0
|
|
CHA
|
F:HEM250
|
3.4
|
11.0
|
1.0
|
|
CHD
|
F:HEM250
|
3.4
|
14.3
|
1.0
|
|
CHB
|
F:HEM250
|
3.4
|
13.1
|
1.0
|
|
CHC
|
F:HEM250
|
3.5
|
12.5
|
1.0
|
|
ND1
|
F:HIS170
|
4.1
|
13.8
|
1.0
|
|
C3A
|
F:HEM250
|
4.2
|
11.4
|
1.0
|
|
NE
|
F:ARG183
|
4.2
|
16.3
|
1.0
|
|
C2C
|
F:HEM250
|
4.2
|
11.6
|
1.0
|
|
C3D
|
F:HEM250
|
4.2
|
11.7
|
1.0
|
|
C2A
|
F:HEM250
|
4.2
|
12.2
|
1.0
|
|
C2D
|
F:HEM250
|
4.2
|
12.0
|
1.0
|
|
C3C
|
F:HEM250
|
4.2
|
13.2
|
1.0
|
|
C2B
|
F:HEM250
|
4.3
|
14.3
|
1.0
|
|
C3B
|
F:HEM250
|
4.3
|
16.9
|
1.0
|
|
CG
|
F:HIS170
|
4.3
|
13.7
|
1.0
|
|
NH2
|
F:ARG183
|
4.3
|
21.3
|
1.0
|
|
S
|
F:SCN251
|
4.7
|
18.9
|
1.0
|
|
CZ
|
F:ARG183
|
4.7
|
20.5
|
1.0
|
|
Iron binding site 7 out
of 10 in 5a13
Go back to
Iron Binding Sites List in 5a13
Iron binding site 7 out
of 10 in the Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe250
b:14.8
occ:1.00
|
FE
|
G:HEM250
|
0.0
|
14.8
|
1.0
|
|
ND
|
G:HEM250
|
1.9
|
13.3
|
1.0
|
|
NA
|
G:HEM250
|
2.0
|
15.4
|
1.0
|
|
NC
|
G:HEM250
|
2.0
|
13.3
|
1.0
|
|
NB
|
G:HEM250
|
2.1
|
14.1
|
1.0
|
|
N
|
G:SCN251
|
2.1
|
15.6
|
1.0
|
|
NE2
|
G:HIS170
|
2.2
|
17.8
|
1.0
|
|
C4D
|
G:HEM250
|
3.0
|
11.9
|
1.0
|
|
C1D
|
G:HEM250
|
3.0
|
12.3
|
1.0
|
|
CE1
|
G:HIS170
|
3.0
|
22.1
|
1.0
|
|
C1A
|
G:HEM250
|
3.0
|
12.8
|
1.0
|
|
C4A
|
G:HEM250
|
3.0
|
14.5
|
1.0
|
|
C1B
|
G:HEM250
|
3.0
|
20.5
|
1.0
|
|
C4C
|
G:HEM250
|
3.0
|
12.2
|
1.0
|
|
C4B
|
G:HEM250
|
3.0
|
18.1
|
1.0
|
|
C1C
|
G:HEM250
|
3.1
|
13.0
|
1.0
|
|
C
|
G:SCN251
|
3.2
|
20.0
|
1.0
|
|
CD2
|
G:HIS170
|
3.2
|
19.2
|
1.0
|
|
CHB
|
G:HEM250
|
3.4
|
16.6
|
1.0
|
|
CHD
|
G:HEM250
|
3.4
|
15.1
|
1.0
|
|
CHA
|
G:HEM250
|
3.4
|
15.7
|
1.0
|
|
CHC
|
G:HEM250
|
3.5
|
15.4
|
1.0
|
|
NE
|
G:ARG183
|
4.1
|
15.1
|
1.0
|
|
ND1
|
G:HIS170
|
4.1
|
15.2
|
1.0
|
|
C2A
|
G:HEM250
|
4.2
|
15.0
|
1.0
|
|
C3A
|
G:HEM250
|
4.2
|
17.4
|
1.0
|
|
C2D
|
G:HEM250
|
4.2
|
11.8
|
1.0
|
|
C3D
|
G:HEM250
|
4.2
|
10.7
|
1.0
|
|
C2B
|
G:HEM250
|
4.2
|
22.3
|
1.0
|
|
C3C
|
G:HEM250
|
4.3
|
14.2
|
1.0
|
|
C2C
|
G:HEM250
|
4.3
|
15.4
|
1.0
|
|
CG
|
G:HIS170
|
4.3
|
14.2
|
1.0
|
|
C3B
|
G:HEM250
|
4.3
|
15.2
|
1.0
|
|
NH2
|
G:ARG183
|
4.4
|
16.7
|
1.0
|
|
CZ
|
G:ARG183
|
4.7
|
17.1
|
1.0
|
|
S
|
G:SCN251
|
4.7
|
19.6
|
1.0
|
|
Iron binding site 8 out
of 10 in 5a13
Go back to
Iron Binding Sites List in 5a13
Iron binding site 8 out
of 10 in the Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe250
b:15.1
occ:1.00
|
FE
|
H:HEM250
|
0.0
|
15.1
|
1.0
|
|
ND
|
H:HEM250
|
1.9
|
13.2
|
1.0
|
|
NA
|
H:HEM250
|
2.0
|
11.8
|
1.0
|
|
NC
|
H:HEM250
|
2.0
|
11.6
|
1.0
|
|
NB
|
H:HEM250
|
2.1
|
13.8
|
1.0
|
|
NE2
|
H:HIS170
|
2.2
|
19.9
|
1.0
|
|
N
|
H:SCN251
|
2.2
|
20.0
|
1.0
|
|
C1D
|
H:HEM250
|
2.9
|
14.4
|
1.0
|
|
C1B
|
H:HEM250
|
3.0
|
19.9
|
1.0
|
|
C4C
|
H:HEM250
|
3.0
|
15.3
|
1.0
|
|
C4D
|
H:HEM250
|
3.0
|
12.6
|
1.0
|
|
C4A
|
H:HEM250
|
3.0
|
18.7
|
1.0
|
|
CE1
|
H:HIS170
|
3.0
|
19.7
|
1.0
|
|
C1A
|
H:HEM250
|
3.0
|
14.9
|
1.0
|
|
C4B
|
H:HEM250
|
3.0
|
12.8
|
1.0
|
|
C1C
|
H:HEM250
|
3.1
|
11.7
|
1.0
|
|
CD2
|
H:HIS170
|
3.3
|
15.7
|
1.0
|
|
C
|
H:SCN251
|
3.3
|
27.0
|
1.0
|
|
CHB
|
H:HEM250
|
3.4
|
16.7
|
1.0
|
|
CHD
|
H:HEM250
|
3.4
|
14.3
|
1.0
|
|
CHA
|
H:HEM250
|
3.5
|
14.5
|
1.0
|
|
CHC
|
H:HEM250
|
3.5
|
12.8
|
1.0
|
|
ND1
|
H:HIS170
|
4.2
|
17.7
|
1.0
|
|
C2B
|
H:HEM250
|
4.2
|
19.8
|
1.0
|
|
C3C
|
H:HEM250
|
4.2
|
15.2
|
1.0
|
|
C2D
|
H:HEM250
|
4.2
|
13.4
|
1.0
|
|
C2A
|
H:HEM250
|
4.2
|
12.4
|
1.0
|
|
C3A
|
H:HEM250
|
4.2
|
14.7
|
1.0
|
|
C2C
|
H:HEM250
|
4.2
|
11.2
|
1.0
|
|
C3B
|
H:HEM250
|
4.3
|
15.3
|
1.0
|
|
C3D
|
H:HEM250
|
4.3
|
14.1
|
1.0
|
|
NE
|
H:ARG183
|
4.3
|
27.7
|
1.0
|
|
NH2
|
H:ARG183
|
4.3
|
25.2
|
1.0
|
|
CG
|
H:HIS170
|
4.3
|
14.5
|
1.0
|
|
CZ
|
H:ARG183
|
4.7
|
23.7
|
1.0
|
|
S
|
H:SCN251
|
4.8
|
20.9
|
1.0
|
|
Iron binding site 9 out
of 10 in 5a13
Go back to
Iron Binding Sites List in 5a13
Iron binding site 9 out
of 10 in the Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe250
b:15.1
occ:1.00
|
FE
|
I:HEM250
|
0.0
|
15.1
|
1.0
|
|
ND
|
I:HEM250
|
2.0
|
14.1
|
1.0
|
|
NA
|
I:HEM250
|
2.0
|
13.0
|
1.0
|
|
NB
|
I:HEM250
|
2.0
|
13.5
|
1.0
|
|
NC
|
I:HEM250
|
2.1
|
14.3
|
1.0
|
|
N
|
I:SCN251
|
2.1
|
17.8
|
1.0
|
|
CE1
|
I:HIS170
|
2.2
|
12.5
|
1.0
|
|
C1D
|
I:HEM250
|
2.9
|
16.6
|
1.0
|
|
C4D
|
I:HEM250
|
3.0
|
14.3
|
1.0
|
|
NE2
|
I:HIS170
|
3.0
|
20.0
|
1.0
|
|
C4B
|
I:HEM250
|
3.0
|
20.8
|
1.0
|
|
C1B
|
I:HEM250
|
3.0
|
20.3
|
1.0
|
|
C1A
|
I:HEM250
|
3.0
|
12.7
|
1.0
|
|
C4A
|
I:HEM250
|
3.0
|
12.9
|
1.0
|
|
C4C
|
I:HEM250
|
3.1
|
17.3
|
1.0
|
|
C1C
|
I:HEM250
|
3.1
|
12.9
|
1.0
|
|
C
|
I:SCN251
|
3.2
|
15.7
|
1.0
|
|
ND1
|
I:HIS170
|
3.3
|
17.7
|
1.0
|
|
CHD
|
I:HEM250
|
3.4
|
14.1
|
1.0
|
|
CHA
|
I:HEM250
|
3.4
|
13.4
|
1.0
|
|
CHC
|
I:HEM250
|
3.4
|
16.8
|
1.0
|
|
CHB
|
I:HEM250
|
3.5
|
19.2
|
1.0
|
|
NE
|
I:ARG183
|
4.1
|
19.1
|
1.0
|
|
CD2
|
I:HIS170
|
4.2
|
11.9
|
1.0
|
|
C2D
|
I:HEM250
|
4.2
|
14.0
|
1.0
|
|
C2B
|
I:HEM250
|
4.2
|
20.1
|
1.0
|
|
C3D
|
I:HEM250
|
4.2
|
15.3
|
1.0
|
|
C2A
|
I:HEM250
|
4.2
|
17.2
|
1.0
|
|
C3A
|
I:HEM250
|
4.2
|
19.9
|
1.0
|
|
C3B
|
I:HEM250
|
4.2
|
19.4
|
1.0
|
|
C2C
|
I:HEM250
|
4.3
|
14.1
|
1.0
|
|
C3C
|
I:HEM250
|
4.3
|
13.7
|
1.0
|
|
NH2
|
I:ARG183
|
4.3
|
18.8
|
1.0
|
|
CG
|
I:HIS170
|
4.4
|
14.5
|
1.0
|
|
S
|
I:SCN251
|
4.7
|
18.2
|
1.0
|
|
CZ
|
I:ARG183
|
4.7
|
22.9
|
1.0
|
|
Iron binding site 10 out
of 10 in 5a13
Go back to
Iron Binding Sites List in 5a13
Iron binding site 10 out
of 10 in the Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Crystal Structure of Chlorite Dismutase From Magnetospirillum Sp. in Complex with Thiocyanate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Fe250
b:14.8
occ:1.00
|
FE
|
J:HEM250
|
0.0
|
14.8
|
1.0
|
|
ND
|
J:HEM250
|
1.9
|
10.7
|
1.0
|
|
NA
|
J:HEM250
|
2.0
|
12.2
|
1.0
|
|
N
|
J:SCN251
|
2.0
|
17.9
|
1.0
|
|
NB
|
J:HEM250
|
2.1
|
14.1
|
1.0
|
|
NC
|
J:HEM250
|
2.1
|
13.1
|
1.0
|
|
NE2
|
J:HIS170
|
2.1
|
17.2
|
1.0
|
|
C4D
|
J:HEM250
|
2.9
|
15.0
|
1.0
|
|
C1D
|
J:HEM250
|
2.9
|
15.6
|
1.0
|
|
CE1
|
J:HIS170
|
3.0
|
13.9
|
1.0
|
|
C1A
|
J:HEM250
|
3.0
|
15.8
|
1.0
|
|
C4B
|
J:HEM250
|
3.0
|
10.7
|
1.0
|
|
C1B
|
J:HEM250
|
3.0
|
16.5
|
1.0
|
|
C4C
|
J:HEM250
|
3.0
|
16.6
|
1.0
|
|
C4A
|
J:HEM250
|
3.0
|
15.2
|
1.0
|
|
C1C
|
J:HEM250
|
3.1
|
11.7
|
1.0
|
|
C
|
J:SCN251
|
3.2
|
22.1
|
1.0
|
|
CD2
|
J:HIS170
|
3.2
|
13.9
|
1.0
|
|
CHA
|
J:HEM250
|
3.4
|
14.5
|
1.0
|
|
CHD
|
J:HEM250
|
3.4
|
14.0
|
1.0
|
|
CHB
|
J:HEM250
|
3.5
|
16.3
|
1.0
|
|
CHC
|
J:HEM250
|
3.5
|
16.2
|
1.0
|
|
ND1
|
J:HIS170
|
4.1
|
13.7
|
1.0
|
|
NE
|
J:ARG183
|
4.1
|
18.4
|
1.0
|
|
C2D
|
J:HEM250
|
4.2
|
14.2
|
1.0
|
|
C3D
|
J:HEM250
|
4.2
|
13.8
|
1.0
|
|
C2A
|
J:HEM250
|
4.2
|
13.9
|
1.0
|
|
C3A
|
J:HEM250
|
4.2
|
15.9
|
1.0
|
|
C2B
|
J:HEM250
|
4.2
|
13.2
|
1.0
|
|
C3C
|
J:HEM250
|
4.3
|
13.9
|
1.0
|
|
CG
|
J:HIS170
|
4.3
|
15.4
|
1.0
|
|
C3B
|
J:HEM250
|
4.3
|
13.9
|
1.0
|
|
C2C
|
J:HEM250
|
4.3
|
12.7
|
1.0
|
|
NH2
|
J:ARG183
|
4.3
|
21.5
|
1.0
|
|
CZ
|
J:ARG183
|
4.7
|
20.1
|
1.0
|
|
S
|
J:SCN251
|
4.7
|
19.8
|
1.0
|
|
Reference:
A.De Schutter,
H.Correia,
D.M.Freire,
M.G.Rivas,
A.C.Rizzi,
T.Santos-Silva,
P.J.Gonzalez,
S.Van Doorslaer.
Ligand Binding to Chlorite Dismutase From Magnetospirillum Sp. J.Phys.Chem.B V. 119 13859 2015.
ISSN: ISSN 1089-5647
PubMed: 26287794
DOI: 10.1021/ACS.JPCB.5B04141
Page generated: Mon Aug 5 18:44:12 2024
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