Iron in PDB 4bv1: Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans
Protein crystallography data
The structure of Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans, PDB code: 4bv1
was solved by
C.V.Romao,
P.M.Matias,
F.G.Pinho,
C.M.Sousa,
A.R.Barradas,
A.F.Pinto,
M.Teixeira,
T.M.Bandeiras,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.106 /
1.90
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
51.880,
82.010,
91.300,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.86 /
24.73
|
Iron Binding Sites:
The binding sites of Iron atom in the Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans
(pdb code 4bv1). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans, PDB code: 4bv1:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 4bv1
Go back to
Iron Binding Sites List in 4bv1
Iron binding site 1 out
of 4 in the Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe120
b:40.7
occ:1.00
|
NE2
|
A:HIS35
|
2.2
|
47.4
|
1.0
|
ND1
|
A:HIS100
|
2.3
|
39.0
|
1.0
|
NE2
|
A:HIS10
|
2.3
|
43.8
|
1.0
|
NE2
|
A:HIS41
|
2.4
|
48.2
|
1.0
|
SG
|
A:CYS97
|
2.5
|
35.5
|
1.0
|
CD2
|
A:HIS10
|
3.1
|
44.8
|
1.0
|
CE1
|
A:HIS35
|
3.1
|
51.9
|
1.0
|
CE1
|
A:HIS100
|
3.2
|
43.7
|
1.0
|
CD2
|
A:HIS35
|
3.2
|
49.1
|
1.0
|
CE1
|
A:HIS41
|
3.3
|
50.8
|
1.0
|
CD2
|
A:HIS41
|
3.4
|
51.7
|
1.0
|
CE1
|
A:HIS10
|
3.4
|
48.0
|
1.0
|
CG
|
A:HIS100
|
3.4
|
40.6
|
1.0
|
CB
|
A:CYS97
|
3.8
|
31.6
|
1.0
|
CB
|
A:HIS100
|
3.8
|
40.1
|
1.0
|
ND1
|
A:HIS35
|
4.3
|
46.0
|
1.0
|
CG
|
A:HIS35
|
4.3
|
48.9
|
1.0
|
CG
|
A:HIS10
|
4.3
|
44.6
|
1.0
|
NE2
|
A:HIS100
|
4.3
|
44.9
|
1.0
|
ND1
|
A:HIS41
|
4.4
|
50.0
|
1.0
|
ND1
|
A:HIS10
|
4.4
|
48.8
|
1.0
|
N
|
A:HIS100
|
4.5
|
36.3
|
1.0
|
CD2
|
A:HIS100
|
4.5
|
43.9
|
1.0
|
CG
|
A:HIS41
|
4.5
|
46.9
|
1.0
|
CA
|
A:HIS100
|
4.8
|
37.9
|
1.0
|
CB
|
A:LEU99
|
4.8
|
34.0
|
1.0
|
|
Iron binding site 2 out
of 4 in 4bv1
Go back to
Iron Binding Sites List in 4bv1
Iron binding site 2 out
of 4 in the Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe120
b:48.6
occ:1.00
|
NE2
|
B:HIS41
|
2.2
|
51.5
|
1.0
|
NE2
|
B:HIS10
|
2.2
|
56.0
|
1.0
|
NE2
|
B:HIS35
|
2.3
|
53.4
|
1.0
|
ND1
|
B:HIS100
|
2.4
|
44.0
|
1.0
|
SG
|
B:CYS97
|
2.4
|
36.5
|
1.0
|
CE1
|
B:HIS35
|
3.1
|
51.3
|
1.0
|
CD2
|
B:HIS10
|
3.2
|
53.3
|
1.0
|
CE1
|
B:HIS100
|
3.2
|
48.9
|
1.0
|
CE1
|
B:HIS41
|
3.2
|
54.5
|
1.0
|
CD2
|
B:HIS41
|
3.2
|
49.0
|
1.0
|
CE1
|
B:HIS10
|
3.3
|
60.1
|
1.0
|
CD2
|
B:HIS35
|
3.3
|
48.8
|
1.0
|
CG
|
B:HIS100
|
3.4
|
45.3
|
1.0
|
CB
|
B:HIS100
|
3.8
|
40.2
|
1.0
|
CB
|
B:CYS97
|
3.8
|
27.0
|
1.0
|
NE2
|
B:HIS100
|
4.3
|
50.2
|
1.0
|
ND1
|
B:HIS35
|
4.3
|
44.9
|
1.0
|
ND1
|
B:HIS41
|
4.3
|
53.8
|
1.0
|
CG
|
B:HIS10
|
4.4
|
50.0
|
1.0
|
CG
|
B:HIS41
|
4.4
|
51.3
|
1.0
|
ND1
|
B:HIS10
|
4.4
|
59.2
|
1.0
|
CD2
|
B:HIS100
|
4.4
|
50.7
|
1.0
|
N
|
B:HIS100
|
4.4
|
35.8
|
1.0
|
CG
|
B:HIS35
|
4.4
|
46.9
|
1.0
|
CA
|
B:HIS100
|
4.7
|
38.0
|
1.0
|
CB
|
B:LEU99
|
4.8
|
34.2
|
1.0
|
|
Iron binding site 3 out
of 4 in 4bv1
Go back to
Iron Binding Sites List in 4bv1
Iron binding site 3 out
of 4 in the Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe120
b:51.2
occ:1.00
|
NE2
|
C:HIS35
|
2.2
|
59.4
|
1.0
|
ND1
|
C:HIS100
|
2.3
|
53.1
|
1.0
|
NE2
|
C:HIS10
|
2.4
|
56.2
|
1.0
|
NE2
|
C:HIS41
|
2.4
|
57.4
|
1.0
|
SG
|
C:CYS97
|
2.4
|
41.8
|
1.0
|
O
|
C:HOH2003
|
2.6
|
54.8
|
1.0
|
CE1
|
C:HIS35
|
3.0
|
58.6
|
1.0
|
CE1
|
C:HIS100
|
3.1
|
52.7
|
1.0
|
CD2
|
C:HIS10
|
3.2
|
46.3
|
1.0
|
CD2
|
C:HIS35
|
3.3
|
58.2
|
1.0
|
CE1
|
C:HIS41
|
3.3
|
59.2
|
1.0
|
CG
|
C:HIS100
|
3.4
|
51.9
|
1.0
|
CD2
|
C:HIS41
|
3.4
|
59.1
|
1.0
|
CE1
|
C:HIS10
|
3.5
|
61.3
|
1.0
|
CB
|
C:CYS97
|
3.7
|
31.9
|
1.0
|
CB
|
C:HIS100
|
3.8
|
44.5
|
1.0
|
ND1
|
C:HIS35
|
4.2
|
48.1
|
1.0
|
NE2
|
C:HIS100
|
4.2
|
53.6
|
1.0
|
CG
|
C:HIS35
|
4.3
|
55.7
|
1.0
|
CD2
|
C:HIS100
|
4.4
|
54.2
|
1.0
|
N
|
C:HIS100
|
4.4
|
38.7
|
1.0
|
CG
|
C:HIS10
|
4.4
|
57.7
|
1.0
|
ND1
|
C:HIS41
|
4.5
|
59.8
|
1.0
|
CG
|
C:HIS41
|
4.5
|
56.2
|
1.0
|
ND1
|
C:HIS10
|
4.5
|
61.1
|
1.0
|
CA
|
C:HIS100
|
4.7
|
43.0
|
1.0
|
|
Iron binding site 4 out
of 4 in 4bv1
Go back to
Iron Binding Sites List in 4bv1
Iron binding site 4 out
of 4 in the Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Superoxide Reductase (Neelaredoxin) From Nanoarchaeum Equitans within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe120
b:51.1
occ:1.00
|
ND1
|
D:HIS100
|
2.2
|
59.9
|
1.0
|
NE2
|
D:HIS10
|
2.3
|
63.9
|
1.0
|
SG
|
D:CYS97
|
2.4
|
38.3
|
1.0
|
NE2
|
D:HIS41
|
2.4
|
57.8
|
1.0
|
NE2
|
D:HIS35
|
2.5
|
53.1
|
1.0
|
CE1
|
D:HIS100
|
3.0
|
62.6
|
1.0
|
CG
|
D:HIS100
|
3.2
|
53.2
|
1.0
|
CD2
|
D:HIS10
|
3.2
|
59.3
|
1.0
|
CE1
|
D:HIS10
|
3.3
|
67.0
|
1.0
|
CD2
|
D:HIS41
|
3.3
|
56.0
|
1.0
|
CE1
|
D:HIS35
|
3.4
|
50.1
|
1.0
|
CE1
|
D:HIS41
|
3.4
|
61.9
|
1.0
|
CD2
|
D:HIS35
|
3.4
|
52.6
|
1.0
|
CB
|
D:HIS100
|
3.6
|
45.8
|
1.0
|
CB
|
D:CYS97
|
3.6
|
31.8
|
1.0
|
NE2
|
D:HIS100
|
4.1
|
62.9
|
1.0
|
CD2
|
D:HIS100
|
4.1
|
56.4
|
1.0
|
N
|
D:HIS100
|
4.3
|
44.9
|
1.0
|
ND1
|
D:HIS10
|
4.4
|
65.1
|
1.0
|
CG
|
D:HIS10
|
4.4
|
58.2
|
1.0
|
CG
|
D:HIS41
|
4.5
|
56.0
|
1.0
|
ND1
|
D:HIS41
|
4.5
|
62.5
|
1.0
|
ND1
|
D:HIS35
|
4.5
|
49.8
|
1.0
|
CG
|
D:HIS35
|
4.6
|
52.3
|
1.0
|
CA
|
D:HIS100
|
4.6
|
45.9
|
1.0
|
CA
|
D:CYS97
|
4.9
|
31.4
|
1.0
|
CB
|
D:LEU99
|
5.0
|
49.1
|
1.0
|
|
Reference:
C.V.Romao,
P.M.Matias,
F.G.Pinho,
C.M.Sousa,
A.R.Barradas,
A.F.Pinto,
M.Teixeira,
T.M.Bandeiras.
Structure of A Natural Sor Mutant To Be Published.
Page generated: Sun Dec 13 15:29:23 2020
|