Iron in PDB 9gyr: Ferredoxin Cnf Labelled, Oxidised State
Protein crystallography data
The structure of Ferredoxin Cnf Labelled, Oxidised State, PDB code: 9gyr
was solved by
S.B.Carr,
J.Wei,
K.A.Vincent,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.42 /
1.10
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
58.834,
61.532,
58.843,
90,
119.24,
90
|
R / Rfree (%)
|
13.1 /
14.4
|
Iron Binding Sites:
The binding sites of Iron atom in the Ferredoxin Cnf Labelled, Oxidised State
(pdb code 9gyr). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Ferredoxin Cnf Labelled, Oxidised State, PDB code: 9gyr:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 9gyr
Go back to
Iron Binding Sites List in 9gyr
Iron binding site 1 out
of 8 in the Ferredoxin Cnf Labelled, Oxidised State
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Ferredoxin Cnf Labelled, Oxidised State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe101
b:9.0
occ:1.00
|
FE1
|
A:FES101
|
0.0
|
9.0
|
1.0
|
S2
|
A:FES101
|
2.2
|
8.9
|
1.0
|
S1
|
A:FES101
|
2.2
|
9.0
|
1.0
|
SG
|
A:CYS44
|
2.3
|
9.5
|
1.0
|
SG
|
A:CYS39
|
2.3
|
9.8
|
1.0
|
FE2
|
A:FES101
|
2.7
|
8.3
|
1.0
|
H
|
A:CYS39
|
3.0
|
12.0
|
1.0
|
H
|
A:CYS44
|
3.3
|
12.4
|
1.0
|
H
|
A:ARG40
|
3.3
|
12.2
|
1.0
|
CB
|
A:CYS44
|
3.4
|
9.5
|
1.0
|
HB3
|
A:CYS44
|
3.5
|
11.4
|
1.0
|
CB
|
A:CYS39
|
3.5
|
10.6
|
1.0
|
HB3
|
A:CYS39
|
3.6
|
12.7
|
1.0
|
N
|
A:CYS39
|
3.6
|
10.0
|
1.0
|
N
|
A:CYS44
|
3.6
|
10.4
|
1.0
|
H
|
A:SER43
|
3.7
|
11.7
|
1.0
|
H
|
A:ALA41
|
3.7
|
13.3
|
1.0
|
HB2
|
A:SER46
|
3.8
|
11.9
|
0.8
|
H
|
A:GLY42
|
3.8
|
12.2
|
1.0
|
CA
|
A:CYS44
|
3.8
|
10.2
|
1.0
|
N
|
A:ARG40
|
3.9
|
10.2
|
1.0
|
H
|
A:SER46
|
3.9
|
11.1
|
0.8
|
H
|
A:SER46
|
3.9
|
11.1
|
0.2
|
H
|
A:SER38
|
3.9
|
12.9
|
1.0
|
C
|
A:CYS44
|
4.0
|
9.4
|
1.0
|
O
|
A:CYS44
|
4.0
|
10.0
|
1.0
|
CA
|
A:CYS39
|
4.0
|
10.7
|
1.0
|
HB3
|
A:SER46
|
4.1
|
12.2
|
0.2
|
HG
|
A:SER38
|
4.1
|
12.7
|
1.0
|
OG
|
A:SER38
|
4.2
|
10.6
|
1.0
|
HB2
|
A:CYS44
|
4.2
|
11.4
|
1.0
|
H
|
A:CYS47
|
4.3
|
10.0
|
1.0
|
N
|
A:SER43
|
4.3
|
9.8
|
1.0
|
C
|
A:CYS39
|
4.3
|
10.6
|
1.0
|
HB2
|
A:CYS39
|
4.3
|
12.7
|
1.0
|
SG
|
A:CYS77
|
4.3
|
9.0
|
1.0
|
HB2
|
A:SER46
|
4.4
|
12.2
|
0.2
|
N
|
A:GLY42
|
4.5
|
10.1
|
1.0
|
HA
|
A:ARG40
|
4.5
|
12.6
|
1.0
|
N
|
A:ALA41
|
4.5
|
11.1
|
1.0
|
C
|
A:SER43
|
4.5
|
10.7
|
1.0
|
SG
|
A:CYS47
|
4.6
|
8.1
|
1.0
|
N
|
A:SER46
|
4.6
|
9.2
|
1.0
|
CB
|
A:SER46
|
4.6
|
10.1
|
0.2
|
N
|
A:SER38
|
4.7
|
10.8
|
1.0
|
CB
|
A:SER46
|
4.7
|
9.9
|
0.8
|
N
|
A:SER45
|
4.7
|
9.4
|
1.0
|
C
|
A:SER38
|
4.7
|
10.5
|
1.0
|
CA
|
A:ARG40
|
4.7
|
10.5
|
1.0
|
HA2
|
A:GLY42
|
4.8
|
11.7
|
1.0
|
HA
|
A:CYS44
|
4.8
|
12.3
|
1.0
|
HB3
|
A:CYS47
|
4.9
|
9.4
|
1.0
|
HA
|
A:CYS39
|
4.9
|
12.9
|
1.0
|
HG
|
A:SER43
|
4.9
|
13.3
|
1.0
|
H
|
A:SER45
|
5.0
|
11.2
|
1.0
|
CA
|
A:GLY42
|
5.0
|
9.7
|
1.0
|
C
|
A:GLY42
|
5.0
|
9.6
|
1.0
|
|
Iron binding site 2 out
of 8 in 9gyr
Go back to
Iron Binding Sites List in 9gyr
Iron binding site 2 out
of 8 in the Ferredoxin Cnf Labelled, Oxidised State
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Ferredoxin Cnf Labelled, Oxidised State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe101
b:8.3
occ:1.00
|
FE2
|
A:FES101
|
0.0
|
8.3
|
1.0
|
S2
|
A:FES101
|
2.2
|
8.9
|
1.0
|
S1
|
A:FES101
|
2.2
|
9.0
|
1.0
|
SG
|
A:CYS47
|
2.3
|
8.1
|
1.0
|
SG
|
A:CYS77
|
2.3
|
9.0
|
1.0
|
FE1
|
A:FES101
|
2.7
|
9.0
|
1.0
|
HB3
|
A:CYS77
|
2.9
|
11.1
|
1.0
|
HB3
|
A:CYS47
|
3.1
|
9.4
|
1.0
|
CB
|
A:CYS77
|
3.2
|
9.2
|
1.0
|
CB
|
A:CYS47
|
3.3
|
7.8
|
1.0
|
H
|
A:CYS77
|
3.5
|
9.8
|
1.0
|
H
|
A:GLY42
|
3.5
|
12.2
|
1.0
|
H
|
A:CYS47
|
3.6
|
10.0
|
1.0
|
HB3
|
A:LEU75
|
3.6
|
10.4
|
1.0
|
HA
|
A:ARG40
|
3.8
|
12.6
|
1.0
|
H
|
A:ARG40
|
3.8
|
12.2
|
1.0
|
HB2
|
A:CYS77
|
3.9
|
11.1
|
1.0
|
HB2
|
A:CYS47
|
3.9
|
9.4
|
1.0
|
HA2
|
A:GLY42
|
4.0
|
11.7
|
1.0
|
N
|
A:CYS77
|
4.2
|
8.2
|
1.0
|
N
|
A:CYS47
|
4.3
|
8.3
|
1.0
|
CA
|
A:CYS77
|
4.3
|
8.9
|
1.0
|
H
|
A:ALA41
|
4.3
|
13.3
|
1.0
|
N
|
A:GLY42
|
4.3
|
10.1
|
1.0
|
HD22
|
A:LEU75
|
4.4
|
11.2
|
1.0
|
SG
|
A:CYS39
|
4.4
|
9.8
|
1.0
|
N
|
A:ARG40
|
4.4
|
10.2
|
1.0
|
CA
|
A:CYS47
|
4.4
|
8.0
|
1.0
|
CA
|
A:ARG40
|
4.5
|
10.5
|
1.0
|
H
|
A:SER38
|
4.5
|
12.9
|
1.0
|
HA
|
A:4CF37
|
4.6
|
12.7
|
1.0
|
CB
|
A:LEU75
|
4.6
|
8.7
|
1.0
|
HB2
|
A:SER46
|
4.6
|
11.9
|
0.8
|
HB3
|
A:SER46
|
4.6
|
12.2
|
0.2
|
H
|
A:CYS44
|
4.6
|
12.4
|
1.0
|
CA
|
A:GLY42
|
4.6
|
9.7
|
1.0
|
SG
|
A:CYS44
|
4.6
|
9.5
|
1.0
|
O
|
A:CYS44
|
4.7
|
10.0
|
1.0
|
HD13
|
A:LEU75
|
4.7
|
10.9
|
1.0
|
N
|
A:ALA41
|
4.7
|
11.1
|
1.0
|
H
|
A:SER43
|
4.8
|
11.7
|
1.0
|
HBA
|
A:4CF37
|
4.8
|
14.7
|
1.0
|
HA
|
A:LEU75
|
4.9
|
10.4
|
1.0
|
C
|
A:ARG40
|
4.9
|
11.3
|
1.0
|
H
|
A:CYS39
|
4.9
|
12.0
|
1.0
|
C
|
A:CYS77
|
5.0
|
8.2
|
1.0
|
|
Iron binding site 3 out
of 8 in 9gyr
Go back to
Iron Binding Sites List in 9gyr
Iron binding site 3 out
of 8 in the Ferredoxin Cnf Labelled, Oxidised State
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Ferredoxin Cnf Labelled, Oxidised State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe101
b:11.7
occ:1.00
|
FE1
|
B:FES101
|
0.0
|
11.7
|
1.0
|
S1
|
B:FES101
|
2.2
|
11.9
|
1.0
|
S2
|
B:FES101
|
2.2
|
11.2
|
1.0
|
SG
|
B:CYS44
|
2.3
|
11.8
|
1.0
|
SG
|
B:CYS39
|
2.3
|
13.2
|
1.0
|
FE2
|
B:FES101
|
2.7
|
10.8
|
1.0
|
H
|
B:CYS39
|
2.9
|
18.5
|
1.0
|
H
|
B:CYS44
|
3.1
|
14.4
|
0.4
|
H
|
B:CYS44
|
3.2
|
14.4
|
0.6
|
H
|
B:ARG40
|
3.2
|
18.3
|
1.0
|
CB
|
B:CYS44
|
3.5
|
11.5
|
1.0
|
CB
|
B:CYS39
|
3.5
|
14.1
|
1.0
|
HG
|
B:SER38
|
3.6
|
23.4
|
1.0
|
H
|
B:SER43
|
3.6
|
15.8
|
0.4
|
H
|
B:SER43
|
3.6
|
14.5
|
0.6
|
HB3
|
B:CYS44
|
3.6
|
13.8
|
1.0
|
N
|
B:CYS44
|
3.6
|
12.0
|
1.0
|
HB3
|
B:CYS39
|
3.6
|
17.0
|
1.0
|
N
|
B:CYS39
|
3.6
|
15.4
|
1.0
|
H
|
B:GLY42
|
3.7
|
16.3
|
1.0
|
H
|
B:ALA41
|
3.8
|
17.0
|
1.0
|
N
|
B:ARG40
|
3.8
|
15.3
|
1.0
|
CA
|
B:CYS44
|
3.8
|
11.4
|
1.0
|
H
|
B:SER38
|
3.9
|
19.0
|
1.0
|
HB3
|
B:SER46
|
3.9
|
13.4
|
0.3
|
HB2
|
B:SER46
|
3.9
|
15.5
|
0.7
|
O
|
B:CYS44
|
4.0
|
10.1
|
1.0
|
CA
|
B:CYS39
|
4.0
|
15.1
|
1.0
|
C
|
B:CYS44
|
4.0
|
10.7
|
1.0
|
H
|
B:SER46
|
4.0
|
13.4
|
0.3
|
H
|
B:SER46
|
4.0
|
13.4
|
0.7
|
OG
|
B:SER38
|
4.1
|
19.5
|
1.0
|
H
|
B:CYS47
|
4.2
|
12.6
|
1.0
|
N
|
B:SER43
|
4.3
|
13.2
|
0.4
|
N
|
B:SER43
|
4.3
|
12.1
|
0.6
|
HB2
|
B:CYS44
|
4.3
|
13.8
|
1.0
|
C
|
B:CYS39
|
4.3
|
15.6
|
1.0
|
HB2
|
B:CYS39
|
4.4
|
17.0
|
1.0
|
SG
|
B:CYS77
|
4.4
|
11.1
|
1.0
|
N
|
B:GLY42
|
4.4
|
13.6
|
1.0
|
C
|
B:SER43
|
4.5
|
11.7
|
0.6
|
HA
|
B:ARG40
|
4.5
|
18.0
|
1.0
|
N
|
B:ALA41
|
4.5
|
14.2
|
1.0
|
C
|
B:SER43
|
4.6
|
12.7
|
0.4
|
SG
|
B:CYS47
|
4.6
|
10.2
|
1.0
|
N
|
B:SER38
|
4.6
|
15.8
|
1.0
|
HA2
|
B:GLY42
|
4.6
|
15.1
|
1.0
|
CA
|
B:ARG40
|
4.7
|
15.0
|
1.0
|
C
|
B:SER38
|
4.7
|
16.1
|
1.0
|
N
|
B:SER46
|
4.7
|
11.2
|
1.0
|
HB3
|
B:CYS47
|
4.8
|
12.4
|
1.0
|
CB
|
B:SER46
|
4.8
|
12.9
|
0.7
|
N
|
B:SER45
|
4.8
|
10.6
|
1.0
|
HA
|
B:CYS44
|
4.8
|
13.7
|
1.0
|
CB
|
B:SER46
|
4.8
|
11.2
|
0.3
|
CA
|
B:GLY42
|
4.9
|
12.6
|
1.0
|
HA
|
B:CYS39
|
4.9
|
18.1
|
1.0
|
HG
|
B:SER43
|
4.9
|
11.4
|
0.6
|
HD13
|
B:LEU75
|
4.9
|
10.5
|
1.0
|
C
|
B:GLY42
|
5.0
|
12.5
|
1.0
|
CA
|
B:SER43
|
5.0
|
13.4
|
0.4
|
HB2
|
B:SER46
|
5.0
|
13.4
|
0.3
|
N
|
B:CYS47
|
5.0
|
10.5
|
1.0
|
CA
|
B:SER43
|
5.0
|
11.6
|
0.6
|
|
Iron binding site 4 out
of 8 in 9gyr
Go back to
Iron Binding Sites List in 9gyr
Iron binding site 4 out
of 8 in the Ferredoxin Cnf Labelled, Oxidised State
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Ferredoxin Cnf Labelled, Oxidised State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe101
b:10.8
occ:1.00
|
FE2
|
B:FES101
|
0.0
|
10.8
|
1.0
|
S2
|
B:FES101
|
2.2
|
11.2
|
1.0
|
S1
|
B:FES101
|
2.2
|
11.9
|
1.0
|
SG
|
B:CYS47
|
2.3
|
10.2
|
1.0
|
SG
|
B:CYS77
|
2.3
|
11.1
|
1.0
|
FE1
|
B:FES101
|
2.7
|
11.7
|
1.0
|
HB3
|
B:CYS77
|
2.9
|
12.7
|
1.0
|
HB3
|
B:CYS47
|
3.1
|
12.4
|
1.0
|
CB
|
B:CYS77
|
3.2
|
10.6
|
1.0
|
CB
|
B:CYS47
|
3.3
|
10.3
|
1.0
|
H
|
B:GLY42
|
3.5
|
16.3
|
1.0
|
H
|
B:CYS77
|
3.5
|
12.1
|
1.0
|
HB3
|
B:LEU75
|
3.5
|
12.7
|
1.0
|
H
|
B:CYS47
|
3.6
|
12.6
|
1.0
|
H
|
B:ARG40
|
3.8
|
18.3
|
1.0
|
HA
|
B:ARG40
|
3.8
|
18.0
|
1.0
|
HB2
|
B:CYS77
|
3.8
|
12.7
|
1.0
|
HA2
|
B:GLY42
|
3.9
|
15.1
|
1.0
|
HB2
|
B:CYS47
|
3.9
|
12.4
|
1.0
|
N
|
B:CYS77
|
4.2
|
10.1
|
1.0
|
N
|
B:GLY42
|
4.3
|
13.6
|
1.0
|
CA
|
B:CYS77
|
4.3
|
11.0
|
1.0
|
N
|
B:CYS47
|
4.3
|
10.5
|
1.0
|
H
|
B:ALA41
|
4.3
|
17.0
|
1.0
|
SG
|
B:CYS39
|
4.3
|
13.2
|
1.0
|
N
|
B:ARG40
|
4.4
|
15.3
|
1.0
|
CA
|
B:CYS47
|
4.4
|
10.2
|
1.0
|
CB
|
B:LEU75
|
4.5
|
10.6
|
1.0
|
CA
|
B:ARG40
|
4.5
|
15.0
|
1.0
|
H
|
B:CYS44
|
4.5
|
14.4
|
0.4
|
HD22
|
B:LEU75
|
4.5
|
12.1
|
1.0
|
CA
|
B:GLY42
|
4.5
|
12.6
|
1.0
|
H
|
B:CYS44
|
4.6
|
14.4
|
0.6
|
HD13
|
B:LEU75
|
4.6
|
10.5
|
1.0
|
H
|
B:SER38
|
4.6
|
19.0
|
1.0
|
SG
|
B:CYS44
|
4.6
|
11.8
|
1.0
|
O
|
B:CYS44
|
4.7
|
10.1
|
1.0
|
HA
|
B:4CF37
|
4.7
|
17.6
|
1.0
|
N
|
B:ALA41
|
4.7
|
14.2
|
1.0
|
HB2
|
B:SER46
|
4.7
|
15.5
|
0.7
|
HB3
|
B:SER46
|
4.8
|
13.4
|
0.3
|
H
|
B:SER43
|
4.8
|
15.8
|
0.4
|
H
|
B:SER43
|
4.8
|
14.5
|
0.6
|
C
|
B:ARG40
|
4.9
|
14.8
|
1.0
|
HA
|
B:LEU75
|
4.9
|
11.6
|
1.0
|
HB2
|
B:LEU75
|
4.9
|
12.7
|
1.0
|
H
|
B:CYS39
|
4.9
|
18.5
|
1.0
|
C
|
B:CYS77
|
5.0
|
11.2
|
1.0
|
HD22
|
B:LEU25
|
5.0
|
14.1
|
1.0
|
H
|
B:THR76
|
5.0
|
10.8
|
1.0
|
|
Iron binding site 5 out
of 8 in 9gyr
Go back to
Iron Binding Sites List in 9gyr
Iron binding site 5 out
of 8 in the Ferredoxin Cnf Labelled, Oxidised State
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Ferredoxin Cnf Labelled, Oxidised State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe101
b:10.5
occ:1.00
|
FE1
|
C:FES101
|
0.0
|
10.5
|
1.0
|
S2
|
C:FES101
|
2.2
|
10.2
|
1.0
|
S1
|
C:FES101
|
2.2
|
10.2
|
1.0
|
SG
|
C:CYS44
|
2.3
|
11.1
|
1.0
|
SG
|
C:CYS39
|
2.3
|
11.8
|
1.0
|
FE2
|
C:FES101
|
2.7
|
9.4
|
1.0
|
H
|
C:CYS39
|
3.0
|
14.6
|
1.0
|
H
|
C:ARG40
|
3.1
|
12.7
|
1.0
|
H
|
C:CYS44
|
3.2
|
13.3
|
1.0
|
CB
|
C:CYS44
|
3.4
|
11.2
|
1.0
|
H
|
C:SER43
|
3.5
|
13.9
|
1.0
|
HB3
|
C:CYS44
|
3.5
|
13.5
|
1.0
|
CB
|
C:CYS39
|
3.6
|
12.2
|
1.0
|
N
|
C:CYS44
|
3.6
|
11.1
|
1.0
|
N
|
C:CYS39
|
3.6
|
12.2
|
1.0
|
H
|
C:ALA41
|
3.6
|
12.4
|
1.0
|
HB3
|
C:CYS39
|
3.7
|
14.6
|
1.0
|
N
|
C:ARG40
|
3.7
|
10.6
|
1.0
|
H
|
C:SER38
|
3.8
|
14.0
|
1.0
|
HB2
|
C:SER46
|
3.9
|
13.7
|
0.7
|
CA
|
C:CYS44
|
3.9
|
11.2
|
1.0
|
H
|
C:GLY42
|
3.9
|
13.9
|
1.0
|
HB3
|
C:SER46
|
4.0
|
13.2
|
0.3
|
CA
|
C:CYS39
|
4.0
|
12.3
|
1.0
|
H
|
C:SER46
|
4.0
|
12.4
|
0.3
|
H
|
C:SER46
|
4.0
|
12.4
|
0.7
|
C
|
C:CYS44
|
4.0
|
11.1
|
1.0
|
O
|
C:CYS44
|
4.0
|
10.9
|
1.0
|
OG
|
C:SER38
|
4.1
|
17.4
|
1.0
|
N
|
C:SER43
|
4.2
|
11.6
|
1.0
|
H
|
C:CYS47
|
4.2
|
12.1
|
1.0
|
HB2
|
C:CYS44
|
4.3
|
13.5
|
1.0
|
C
|
C:CYS39
|
4.3
|
11.9
|
1.0
|
HA
|
C:ARG40
|
4.3
|
12.3
|
1.0
|
HB2
|
C:CYS39
|
4.4
|
14.6
|
1.0
|
SG
|
C:CYS77
|
4.4
|
9.7
|
1.0
|
N
|
C:ALA41
|
4.4
|
10.3
|
1.0
|
N
|
C:GLY42
|
4.5
|
11.6
|
1.0
|
HG
|
C:SER38
|
4.5
|
20.9
|
1.0
|
C
|
C:SER43
|
4.5
|
11.4
|
1.0
|
SG
|
C:CYS47
|
4.5
|
9.7
|
1.0
|
CA
|
C:ARG40
|
4.6
|
10.3
|
1.0
|
N
|
C:SER38
|
4.6
|
11.6
|
1.0
|
C
|
C:SER38
|
4.7
|
12.9
|
1.0
|
N
|
C:SER46
|
4.7
|
10.4
|
1.0
|
HA2
|
C:GLY42
|
4.7
|
13.7
|
1.0
|
CB
|
C:SER46
|
4.8
|
11.4
|
0.7
|
N
|
C:SER45
|
4.8
|
11.4
|
1.0
|
HB3
|
C:CYS47
|
4.8
|
10.7
|
1.0
|
HA
|
C:CYS44
|
4.8
|
13.5
|
1.0
|
CB
|
C:SER46
|
4.8
|
11.0
|
0.3
|
HD13
|
C:LEU75
|
4.8
|
12.2
|
1.0
|
HB2
|
C:SER43
|
4.9
|
13.7
|
1.0
|
CA
|
C:SER43
|
4.9
|
11.2
|
1.0
|
C
|
C:GLY42
|
4.9
|
11.5
|
1.0
|
HA
|
C:CYS39
|
4.9
|
14.8
|
1.0
|
CA
|
C:GLY42
|
4.9
|
11.4
|
1.0
|
HB2
|
C:SER46
|
5.0
|
13.2
|
0.3
|
|
Iron binding site 6 out
of 8 in 9gyr
Go back to
Iron Binding Sites List in 9gyr
Iron binding site 6 out
of 8 in the Ferredoxin Cnf Labelled, Oxidised State
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Ferredoxin Cnf Labelled, Oxidised State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe101
b:9.4
occ:1.00
|
FE2
|
C:FES101
|
0.0
|
9.4
|
1.0
|
S2
|
C:FES101
|
2.2
|
10.2
|
1.0
|
S1
|
C:FES101
|
2.2
|
10.2
|
1.0
|
SG
|
C:CYS47
|
2.3
|
9.7
|
1.0
|
SG
|
C:CYS77
|
2.3
|
9.7
|
1.0
|
FE1
|
C:FES101
|
2.7
|
10.5
|
1.0
|
HB3
|
C:CYS77
|
2.9
|
10.7
|
1.0
|
HB3
|
C:CYS47
|
3.1
|
10.7
|
1.0
|
CB
|
C:CYS77
|
3.2
|
8.9
|
1.0
|
CB
|
C:CYS47
|
3.3
|
8.9
|
1.0
|
H
|
C:CYS77
|
3.5
|
11.1
|
1.0
|
H
|
C:GLY42
|
3.5
|
13.9
|
1.0
|
HB3
|
C:LEU75
|
3.6
|
11.3
|
1.0
|
HA
|
C:ARG40
|
3.6
|
12.3
|
1.0
|
H
|
C:CYS47
|
3.6
|
12.1
|
1.0
|
H
|
C:ARG40
|
3.7
|
12.7
|
1.0
|
HB2
|
C:CYS77
|
3.9
|
10.7
|
1.0
|
HB2
|
C:CYS47
|
3.9
|
10.7
|
1.0
|
HA2
|
C:GLY42
|
4.0
|
13.7
|
1.0
|
N
|
C:CYS77
|
4.2
|
9.2
|
1.0
|
H
|
C:ALA41
|
4.2
|
12.4
|
1.0
|
N
|
C:ARG40
|
4.3
|
10.6
|
1.0
|
CA
|
C:CYS77
|
4.3
|
8.8
|
1.0
|
N
|
C:GLY42
|
4.3
|
11.6
|
1.0
|
N
|
C:CYS47
|
4.3
|
10.1
|
1.0
|
CA
|
C:ARG40
|
4.3
|
10.3
|
1.0
|
SG
|
C:CYS39
|
4.4
|
11.8
|
1.0
|
CA
|
C:CYS47
|
4.4
|
9.6
|
1.0
|
HD22
|
C:LEU75
|
4.4
|
12.6
|
1.0
|
HD13
|
C:LEU75
|
4.5
|
12.2
|
1.0
|
CB
|
C:LEU75
|
4.5
|
9.4
|
1.0
|
H
|
C:SER38
|
4.5
|
14.0
|
1.0
|
H
|
C:CYS44
|
4.6
|
13.3
|
1.0
|
SG
|
C:CYS44
|
4.6
|
11.1
|
1.0
|
HBA
|
C:4CF37
|
4.6
|
13.8
|
1.0
|
HA
|
C:4CF37
|
4.6
|
12.8
|
1.0
|
CA
|
C:GLY42
|
4.6
|
11.4
|
1.0
|
N
|
C:ALA41
|
4.6
|
10.3
|
1.0
|
H
|
C:SER43
|
4.7
|
13.9
|
1.0
|
HB2
|
C:SER46
|
4.7
|
13.7
|
0.7
|
O
|
C:CYS44
|
4.7
|
10.9
|
1.0
|
C
|
C:ARG40
|
4.8
|
10.7
|
1.0
|
HB3
|
C:SER46
|
4.8
|
13.2
|
0.3
|
HA
|
C:LEU75
|
4.9
|
11.3
|
1.0
|
HD22
|
C:LEU25
|
4.9
|
10.6
|
1.0
|
|
Iron binding site 7 out
of 8 in 9gyr
Go back to
Iron Binding Sites List in 9gyr
Iron binding site 7 out
of 8 in the Ferredoxin Cnf Labelled, Oxidised State
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Ferredoxin Cnf Labelled, Oxidised State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe101
b:10.5
occ:1.00
|
FE1
|
D:FES101
|
0.0
|
10.5
|
1.0
|
S2
|
D:FES101
|
2.2
|
10.3
|
1.0
|
S1
|
D:FES101
|
2.2
|
11.2
|
1.0
|
SG
|
D:CYS44
|
2.3
|
11.2
|
1.0
|
SG
|
D:CYS39
|
2.3
|
12.2
|
1.0
|
FE2
|
D:FES101
|
2.7
|
9.8
|
1.0
|
H
|
D:CYS39
|
3.0
|
14.9
|
1.0
|
H
|
D:ARG40
|
3.1
|
15.5
|
1.0
|
H
|
D:CYS44
|
3.3
|
13.2
|
1.0
|
CB
|
D:CYS44
|
3.4
|
11.0
|
1.0
|
HB3
|
D:CYS44
|
3.4
|
13.2
|
1.0
|
CB
|
D:CYS39
|
3.5
|
12.5
|
1.0
|
HB3
|
D:CYS39
|
3.6
|
15.1
|
1.0
|
H
|
D:SER43
|
3.6
|
13.9
|
1.0
|
N
|
D:CYS44
|
3.6
|
11.0
|
1.0
|
N
|
D:CYS39
|
3.7
|
12.4
|
1.0
|
H
|
D:ALA41
|
3.7
|
16.1
|
1.0
|
N
|
D:ARG40
|
3.7
|
12.9
|
1.0
|
HB2
|
D:SER46
|
3.7
|
12.7
|
0.5
|
H
|
D:GLY42
|
3.8
|
14.1
|
1.0
|
CA
|
D:CYS44
|
3.8
|
10.4
|
1.0
|
HB3
|
D:SER46
|
3.9
|
13.4
|
0.5
|
H
|
D:SER38
|
3.9
|
15.3
|
1.0
|
H
|
D:SER46
|
3.9
|
12.3
|
0.5
|
HG
|
D:SER38
|
3.9
|
17.6
|
1.0
|
H
|
D:SER46
|
3.9
|
12.3
|
0.5
|
CA
|
D:CYS39
|
4.0
|
12.7
|
1.0
|
C
|
D:CYS44
|
4.0
|
10.6
|
1.0
|
O
|
D:CYS44
|
4.0
|
10.1
|
1.0
|
HB2
|
D:CYS44
|
4.2
|
13.2
|
1.0
|
H
|
D:CYS47
|
4.3
|
12.3
|
1.0
|
C
|
D:CYS39
|
4.3
|
13.2
|
1.0
|
N
|
D:SER43
|
4.3
|
11.6
|
1.0
|
HB2
|
D:CYS39
|
4.3
|
15.1
|
1.0
|
OG
|
D:SER38
|
4.3
|
14.7
|
1.0
|
SG
|
D:CYS77
|
4.4
|
10.1
|
1.0
|
HA
|
D:ARG40
|
4.4
|
16.6
|
1.0
|
N
|
D:GLY42
|
4.5
|
11.8
|
1.0
|
N
|
D:ALA41
|
4.5
|
13.4
|
1.0
|
C
|
D:SER43
|
4.5
|
12.1
|
1.0
|
SG
|
D:CYS47
|
4.6
|
9.8
|
1.0
|
CA
|
D:ARG40
|
4.6
|
13.8
|
1.0
|
N
|
D:SER46
|
4.6
|
10.3
|
1.0
|
CB
|
D:SER46
|
4.7
|
10.6
|
0.5
|
N
|
D:SER38
|
4.7
|
12.8
|
1.0
|
N
|
D:SER45
|
4.7
|
10.9
|
1.0
|
C
|
D:SER38
|
4.7
|
13.8
|
1.0
|
HB3
|
D:CYS47
|
4.8
|
12.1
|
1.0
|
CB
|
D:SER46
|
4.8
|
11.2
|
0.5
|
HA2
|
D:GLY42
|
4.8
|
13.7
|
1.0
|
HA
|
D:CYS44
|
4.8
|
12.4
|
1.0
|
HA
|
D:CYS39
|
4.9
|
15.2
|
1.0
|
HD13
|
D:LEU75
|
4.9
|
12.0
|
1.0
|
CA
|
D:GLY42
|
5.0
|
11.4
|
1.0
|
H
|
D:SER45
|
5.0
|
13.1
|
1.0
|
C
|
D:GLY42
|
5.0
|
11.2
|
1.0
|
HB2
|
D:SER46
|
5.0
|
13.4
|
0.5
|
|
Iron binding site 8 out
of 8 in 9gyr
Go back to
Iron Binding Sites List in 9gyr
Iron binding site 8 out
of 8 in the Ferredoxin Cnf Labelled, Oxidised State
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Ferredoxin Cnf Labelled, Oxidised State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe101
b:9.8
occ:1.00
|
FE2
|
D:FES101
|
0.0
|
9.8
|
1.0
|
S2
|
D:FES101
|
2.2
|
10.3
|
1.0
|
S1
|
D:FES101
|
2.2
|
11.2
|
1.0
|
SG
|
D:CYS47
|
2.3
|
9.8
|
1.0
|
SG
|
D:CYS77
|
2.3
|
10.1
|
1.0
|
FE1
|
D:FES101
|
2.7
|
10.5
|
1.0
|
HB3
|
D:CYS77
|
2.9
|
12.6
|
1.0
|
HB3
|
D:CYS47
|
3.1
|
12.1
|
1.0
|
CB
|
D:CYS77
|
3.2
|
10.5
|
1.0
|
CB
|
D:CYS47
|
3.3
|
10.1
|
1.0
|
H
|
D:CYS77
|
3.5
|
10.6
|
1.0
|
H
|
D:GLY42
|
3.5
|
14.1
|
1.0
|
HB3
|
D:LEU75
|
3.6
|
11.2
|
1.0
|
H
|
D:CYS47
|
3.6
|
12.3
|
1.0
|
HA
|
D:ARG40
|
3.7
|
16.6
|
1.0
|
H
|
D:ARG40
|
3.7
|
15.5
|
1.0
|
HB2
|
D:CYS77
|
3.9
|
12.6
|
1.0
|
HB2
|
D:CYS47
|
3.9
|
12.1
|
1.0
|
HA2
|
D:GLY42
|
4.0
|
13.7
|
1.0
|
N
|
D:CYS77
|
4.2
|
8.8
|
1.0
|
H
|
D:ALA41
|
4.3
|
16.1
|
1.0
|
N
|
D:GLY42
|
4.3
|
11.8
|
1.0
|
N
|
D:CYS47
|
4.3
|
10.2
|
1.0
|
CA
|
D:CYS77
|
4.3
|
9.7
|
1.0
|
N
|
D:ARG40
|
4.3
|
12.9
|
1.0
|
HD22
|
D:LEU75
|
4.4
|
12.6
|
1.0
|
SG
|
D:CYS39
|
4.4
|
12.2
|
1.0
|
CA
|
D:ARG40
|
4.4
|
13.8
|
1.0
|
CA
|
D:CYS47
|
4.4
|
10.2
|
1.0
|
CB
|
D:LEU75
|
4.5
|
9.4
|
1.0
|
HD13
|
D:LEU75
|
4.5
|
12.0
|
1.0
|
HB2
|
D:SER46
|
4.6
|
12.7
|
0.5
|
H
|
D:SER38
|
4.6
|
15.3
|
1.0
|
SG
|
D:CYS44
|
4.6
|
11.2
|
1.0
|
CA
|
D:GLY42
|
4.6
|
11.4
|
1.0
|
H
|
D:CYS44
|
4.6
|
13.2
|
1.0
|
N
|
D:ALA41
|
4.7
|
13.4
|
1.0
|
HA
|
D:4CF37
|
4.7
|
15.5
|
1.0
|
HBA
|
D:4CF37
|
4.7
|
17.3
|
1.0
|
HB3
|
D:SER46
|
4.7
|
13.4
|
0.5
|
O
|
D:CYS44
|
4.8
|
10.1
|
1.0
|
C
|
D:ARG40
|
4.8
|
13.9
|
1.0
|
H
|
D:SER43
|
4.8
|
13.9
|
1.0
|
HA
|
D:LEU75
|
4.9
|
11.0
|
1.0
|
HD12
|
D:LEU75
|
4.9
|
12.0
|
1.0
|
HD22
|
D:LEU25
|
5.0
|
13.1
|
1.0
|
H
|
D:SER46
|
5.0
|
12.3
|
0.5
|
H
|
D:THR76
|
5.0
|
10.0
|
1.0
|
|
Reference:
Z.Duan,
J.Wei,
S.B.Carr,
M.Ramirez,
R.M.Evans,
P.A.Ash,
P.Rodriguez-Macia,
A.Sachdeva,
K.A.Vincent.
Cyanophenylalanine As An Infrared Probe For Iron-Sulfur Cluster Redox State in Multi-Centre Metalloenzymes. Chembiochem 00251 2025.
ISSN: ESSN 1439-7633
PubMed: 40347495
DOI: 10.1002/CBIC.202500251
Page generated: Fri Aug 8 06:30:08 2025
|