Iron in PDB 7c3a: Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase
Protein crystallography data
The structure of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase, PDB code: 7c3a
was solved by
Y.Ashikawa,
Z.Fujimoto,
H.Nojiri,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.67 /
2.60
|
Space group
|
P 42 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
158.692,
158.692,
81.446,
90,
90,
90
|
R / Rfree (%)
|
24.9 /
29.2
|
Other elements in 7c3a:
The structure of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase
(pdb code 7c3a). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the
Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase, PDB code: 7c3a:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 7c3a
Go back to
Iron Binding Sites List in 7c3a
Iron binding site 1 out
of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1002
b:53.0
occ:1.00
|
FE1
|
A:FES1002
|
0.0
|
53.0
|
1.0
|
SG
|
A:CYS76
|
2.1
|
54.5
|
1.0
|
S1
|
A:FES1002
|
2.2
|
47.3
|
1.0
|
SG
|
A:CYS43
|
2.2
|
58.1
|
1.0
|
S2
|
A:FES1002
|
2.2
|
52.8
|
1.0
|
FE2
|
A:FES1002
|
2.9
|
55.6
|
1.0
|
CB
|
A:CYS76
|
3.1
|
53.3
|
1.0
|
CB
|
A:CYS43
|
3.4
|
57.3
|
1.0
|
N
|
A:CYS76
|
4.0
|
53.2
|
1.0
|
CA
|
A:CYS76
|
4.2
|
52.1
|
1.0
|
N
|
A:CYS43
|
4.2
|
60.3
|
1.0
|
N
|
A:GLY38
|
4.3
|
66.1
|
1.0
|
SG
|
A:CYS40
|
4.4
|
66.9
|
1.0
|
SG
|
A:CYS35
|
4.4
|
67.0
|
1.0
|
CA
|
A:CYS43
|
4.4
|
59.2
|
1.0
|
CA
|
A:ALA36
|
4.4
|
61.3
|
1.0
|
CD2
|
A:LEU74
|
4.4
|
67.4
|
1.0
|
N
|
A:ALA36
|
4.5
|
62.2
|
1.0
|
CB
|
A:LEU74
|
4.6
|
62.0
|
1.0
|
CA
|
A:GLY38
|
4.6
|
68.9
|
1.0
|
N
|
A:SER37
|
4.7
|
62.0
|
1.0
|
C
|
A:ALA36
|
4.8
|
61.2
|
1.0
|
N
|
A:VAL42
|
4.9
|
63.7
|
1.0
|
N
|
A:GLY41
|
4.9
|
69.4
|
1.0
|
CG
|
A:LEU74
|
4.9
|
66.1
|
1.0
|
C
|
A:CYS76
|
5.0
|
53.5
|
1.0
|
|
Iron binding site 2 out
of 6 in 7c3a
Go back to
Iron Binding Sites List in 7c3a
Iron binding site 2 out
of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1002
b:55.6
occ:1.00
|
FE2
|
A:FES1002
|
0.0
|
55.6
|
1.0
|
SG
|
A:CYS40
|
2.1
|
66.9
|
1.0
|
SG
|
A:CYS35
|
2.1
|
67.0
|
1.0
|
S1
|
A:FES1002
|
2.2
|
47.3
|
1.0
|
S2
|
A:FES1002
|
2.2
|
52.8
|
1.0
|
FE1
|
A:FES1002
|
2.9
|
53.0
|
1.0
|
N
|
A:CYS35
|
3.4
|
65.6
|
1.0
|
CB
|
A:CYS35
|
3.4
|
67.8
|
1.0
|
CB
|
A:CYS40
|
3.4
|
70.1
|
1.0
|
N
|
A:ALA36
|
3.4
|
62.2
|
1.0
|
N
|
A:CYS40
|
3.4
|
71.0
|
1.0
|
CA
|
A:CYS35
|
3.8
|
66.2
|
1.0
|
CA
|
A:CYS40
|
3.9
|
72.0
|
1.0
|
N
|
A:GLY41
|
3.9
|
69.4
|
1.0
|
C
|
A:CYS35
|
4.1
|
65.0
|
1.0
|
N
|
A:GLY39
|
4.1
|
72.2
|
1.0
|
N
|
A:GLY38
|
4.2
|
66.1
|
1.0
|
N
|
A:SER37
|
4.2
|
62.0
|
1.0
|
SG
|
A:CYS76
|
4.2
|
54.5
|
1.0
|
N
|
A:GLU34
|
4.3
|
63.9
|
1.0
|
CA
|
A:ALA36
|
4.3
|
61.3
|
1.0
|
C
|
A:GLU34
|
4.3
|
65.4
|
1.0
|
C
|
A:CYS40
|
4.4
|
72.3
|
1.0
|
C
|
A:GLY39
|
4.5
|
73.3
|
1.0
|
N
|
A:VAL42
|
4.5
|
63.7
|
1.0
|
CA
|
A:GLU34
|
4.6
|
66.5
|
1.0
|
CA
|
A:GLY38
|
4.7
|
68.9
|
1.0
|
CB
|
A:GLU34
|
4.7
|
69.6
|
1.0
|
C
|
A:GLY38
|
4.8
|
72.5
|
1.0
|
C
|
A:ALA36
|
4.8
|
61.2
|
1.0
|
CA
|
A:GLY39
|
4.8
|
74.0
|
1.0
|
SG
|
A:CYS43
|
4.8
|
58.1
|
1.0
|
CA
|
A:GLY41
|
4.9
|
68.3
|
1.0
|
|
Iron binding site 3 out
of 6 in 7c3a
Go back to
Iron Binding Sites List in 7c3a
Iron binding site 3 out
of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe1002
b:54.7
occ:1.00
|
FE1
|
B:FES1002
|
0.0
|
54.7
|
1.0
|
SG
|
B:CYS76
|
2.1
|
65.4
|
1.0
|
S1
|
B:FES1002
|
2.2
|
49.1
|
1.0
|
SG
|
B:CYS43
|
2.2
|
60.7
|
1.0
|
S2
|
B:FES1002
|
2.2
|
45.2
|
1.0
|
FE2
|
B:FES1002
|
2.9
|
54.7
|
1.0
|
CB
|
B:CYS43
|
3.2
|
59.6
|
1.0
|
CB
|
B:CYS76
|
3.3
|
65.0
|
1.0
|
N
|
B:GLY38
|
4.0
|
69.9
|
1.0
|
N
|
B:CYS76
|
4.1
|
63.0
|
1.0
|
N
|
B:CYS43
|
4.3
|
62.1
|
1.0
|
CA
|
B:GLY38
|
4.3
|
71.0
|
1.0
|
CA
|
B:CYS76
|
4.3
|
63.6
|
1.0
|
CA
|
B:CYS43
|
4.3
|
60.6
|
1.0
|
SG
|
B:CYS35
|
4.5
|
68.6
|
1.0
|
CA
|
B:ALA36
|
4.5
|
68.5
|
1.0
|
SG
|
B:CYS40
|
4.5
|
67.9
|
1.0
|
N
|
B:ALA36
|
4.6
|
68.9
|
1.0
|
N
|
B:SER37
|
4.6
|
68.2
|
1.0
|
CB
|
B:LEU74
|
4.7
|
67.2
|
1.0
|
CD2
|
B:LEU74
|
4.7
|
70.3
|
1.0
|
C
|
B:ALA36
|
4.8
|
67.8
|
1.0
|
N
|
B:ALA75
|
5.0
|
62.9
|
1.0
|
|
Iron binding site 4 out
of 6 in 7c3a
Go back to
Iron Binding Sites List in 7c3a
Iron binding site 4 out
of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe1002
b:54.7
occ:1.00
|
FE2
|
B:FES1002
|
0.0
|
54.7
|
1.0
|
SG
|
B:CYS40
|
2.1
|
67.9
|
1.0
|
S2
|
B:FES1002
|
2.2
|
45.2
|
1.0
|
S1
|
B:FES1002
|
2.2
|
49.1
|
1.0
|
SG
|
B:CYS35
|
2.2
|
68.6
|
1.0
|
FE1
|
B:FES1002
|
2.9
|
54.7
|
1.0
|
N
|
B:CYS40
|
3.3
|
71.7
|
1.0
|
CB
|
B:CYS40
|
3.4
|
70.3
|
1.0
|
N
|
B:GLY41
|
3.7
|
68.0
|
1.0
|
CB
|
B:CYS35
|
3.8
|
71.8
|
1.0
|
N
|
B:CYS35
|
3.8
|
70.9
|
1.0
|
N
|
B:GLY39
|
3.8
|
72.5
|
1.0
|
N
|
B:ALA36
|
3.8
|
68.9
|
1.0
|
CA
|
B:CYS40
|
3.8
|
71.0
|
1.0
|
CA
|
B:CYS35
|
4.2
|
71.3
|
1.0
|
N
|
B:GLY38
|
4.2
|
69.9
|
1.0
|
C
|
B:GLY39
|
4.2
|
73.3
|
1.0
|
C
|
B:CYS40
|
4.3
|
69.9
|
1.0
|
SG
|
B:CYS76
|
4.4
|
65.4
|
1.0
|
N
|
B:VAL42
|
4.4
|
64.5
|
1.0
|
C
|
B:CYS35
|
4.4
|
70.2
|
1.0
|
N
|
B:SER37
|
4.5
|
68.2
|
1.0
|
CA
|
B:GLY39
|
4.5
|
74.5
|
1.0
|
C
|
B:GLY38
|
4.5
|
72.5
|
1.0
|
N
|
B:GLU34
|
4.6
|
70.5
|
1.0
|
CA
|
B:GLY38
|
4.6
|
71.0
|
1.0
|
SG
|
B:CYS43
|
4.6
|
60.7
|
1.0
|
CA
|
B:ALA36
|
4.7
|
68.5
|
1.0
|
CA
|
B:GLY41
|
4.7
|
67.3
|
1.0
|
C
|
B:GLU34
|
4.9
|
72.3
|
1.0
|
N
|
B:CYS43
|
4.9
|
62.1
|
1.0
|
|
Iron binding site 5 out
of 6 in 7c3a
Go back to
Iron Binding Sites List in 7c3a
Iron binding site 5 out
of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe1002
b:52.1
occ:1.00
|
FE1
|
C:FES1002
|
0.0
|
52.1
|
1.0
|
SG
|
C:CYS43
|
2.1
|
57.2
|
1.0
|
S1
|
C:FES1002
|
2.2
|
42.1
|
1.0
|
S2
|
C:FES1002
|
2.2
|
44.3
|
1.0
|
SG
|
C:CYS76
|
2.2
|
62.0
|
1.0
|
FE2
|
C:FES1002
|
2.9
|
50.0
|
1.0
|
CB
|
C:CYS43
|
3.3
|
59.0
|
1.0
|
CB
|
C:CYS76
|
3.4
|
56.7
|
1.0
|
N
|
C:CYS76
|
4.1
|
55.1
|
1.0
|
N
|
C:CYS43
|
4.2
|
65.4
|
1.0
|
CA
|
C:CYS43
|
4.3
|
63.0
|
1.0
|
CB
|
C:LEU74
|
4.3
|
69.0
|
1.0
|
N
|
C:GLY38
|
4.3
|
68.3
|
1.0
|
CA
|
C:CYS76
|
4.3
|
55.5
|
1.0
|
SG
|
C:CYS40
|
4.4
|
64.8
|
1.0
|
CA
|
C:ALA36
|
4.5
|
58.6
|
1.0
|
CA
|
C:GLY38
|
4.6
|
71.4
|
1.0
|
N
|
C:ALA36
|
4.6
|
60.1
|
1.0
|
SG
|
C:CYS35
|
4.6
|
64.5
|
1.0
|
CD2
|
C:LEU74
|
4.7
|
75.0
|
1.0
|
CD1
|
C:LEU74
|
4.8
|
75.5
|
1.0
|
N
|
C:SER37
|
4.8
|
64.3
|
1.0
|
CG
|
C:LEU74
|
4.8
|
73.8
|
1.0
|
N
|
C:ALA75
|
4.9
|
59.6
|
1.0
|
C
|
C:ALA36
|
4.9
|
61.0
|
1.0
|
N
|
C:GLY41
|
5.0
|
72.1
|
1.0
|
C
|
C:CYS43
|
5.0
|
65.1
|
1.0
|
|
Iron binding site 6 out
of 6 in 7c3a
Go back to
Iron Binding Sites List in 7c3a
Iron binding site 6 out
of 6 in the Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Ferredoxin Reductase in Carbazole 1,9A-Dioxygenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe1002
b:50.0
occ:1.00
|
FE2
|
C:FES1002
|
0.0
|
50.0
|
1.0
|
SG
|
C:CYS40
|
2.1
|
64.8
|
1.0
|
SG
|
C:CYS35
|
2.2
|
64.5
|
1.0
|
S1
|
C:FES1002
|
2.2
|
42.1
|
1.0
|
S2
|
C:FES1002
|
2.2
|
44.3
|
1.0
|
FE1
|
C:FES1002
|
2.9
|
52.1
|
1.0
|
CB
|
C:CYS40
|
3.3
|
69.4
|
1.0
|
N
|
C:CYS40
|
3.4
|
73.1
|
1.0
|
N
|
C:CYS35
|
3.5
|
62.1
|
1.0
|
N
|
C:ALA36
|
3.5
|
60.1
|
1.0
|
CB
|
C:CYS35
|
3.6
|
65.8
|
1.0
|
CA
|
C:CYS40
|
3.8
|
73.0
|
1.0
|
N
|
C:GLY41
|
3.8
|
72.1
|
1.0
|
CA
|
C:CYS35
|
3.9
|
63.4
|
1.0
|
C
|
C:CYS35
|
4.1
|
61.9
|
1.0
|
N
|
C:GLY39
|
4.1
|
74.4
|
1.0
|
SG
|
C:CYS76
|
4.2
|
62.0
|
1.0
|
C
|
C:CYS40
|
4.3
|
74.2
|
1.0
|
N
|
C:GLY38
|
4.3
|
68.3
|
1.0
|
N
|
C:SER37
|
4.3
|
64.3
|
1.0
|
CA
|
C:ALA36
|
4.3
|
58.6
|
1.0
|
N
|
C:GLU34
|
4.4
|
62.2
|
1.0
|
C
|
C:GLY39
|
4.4
|
77.3
|
1.0
|
N
|
C:VAL42
|
4.5
|
70.1
|
1.0
|
C
|
C:GLU34
|
4.6
|
62.0
|
1.0
|
SG
|
C:CYS43
|
4.7
|
57.2
|
1.0
|
CB
|
C:GLU34
|
4.7
|
67.2
|
1.0
|
CA
|
C:GLY38
|
4.8
|
71.4
|
1.0
|
CA
|
C:GLY39
|
4.8
|
77.5
|
1.0
|
CA
|
C:GLU34
|
4.8
|
63.9
|
1.0
|
C
|
C:ALA36
|
4.8
|
61.0
|
1.0
|
C
|
C:GLY38
|
4.8
|
75.0
|
1.0
|
CA
|
C:GLY41
|
4.9
|
73.6
|
1.0
|
|
Reference:
Y.Ashikawa,
Z.Fujimoto,
K.Inoue,
H.Yamane,
H.Nojiri.
Crystal Structure of the Ferredoxin Reductase Component of Carbazole 1,9A-Dioxygenase of Janthinobacterium Sp. J3 To Be Published.
Page generated: Thu Aug 8 00:23:34 2024
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