Iron in PDB 5fd1: Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6
Protein crystallography data
The structure of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6, PDB code: 5fd1
was solved by
C.D.Stout,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
8.00 /
1.90
|
Space group
|
P 41 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
55.200,
55.200,
95.200,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
21.5 /
n/a
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6
(pdb code 5fd1). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the
Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6, PDB code: 5fd1:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
Iron binding site 1 out
of 7 in 5fd1
Go back to
Iron Binding Sites List in 5fd1
Iron binding site 1 out
of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe107
b:13.8
occ:1.00
|
FE1
|
A:SF4107
|
0.0
|
13.8
|
1.0
|
S4
|
A:SF4107
|
2.3
|
14.3
|
1.0
|
S2
|
A:SF4107
|
2.3
|
16.0
|
1.0
|
SG
|
A:CYS39
|
2.3
|
14.1
|
1.0
|
S3
|
A:SF4107
|
2.3
|
14.5
|
1.0
|
FE3
|
A:SF4107
|
2.6
|
14.6
|
1.0
|
FE2
|
A:SF4107
|
2.8
|
17.7
|
1.0
|
FE4
|
A:SF4107
|
2.8
|
15.2
|
1.0
|
CB
|
A:CYS39
|
3.4
|
12.0
|
1.0
|
CA
|
A:CYS39
|
3.8
|
12.7
|
1.0
|
S1
|
A:SF4107
|
3.9
|
14.9
|
1.0
|
SG
|
A:CYS24
|
4.0
|
13.4
|
1.0
|
N
|
A:ILE40
|
4.0
|
12.0
|
1.0
|
N
|
A:ASP41
|
4.0
|
14.0
|
1.0
|
C
|
A:CYS39
|
4.3
|
13.5
|
1.0
|
CB
|
A:PHE2
|
4.5
|
13.4
|
1.0
|
CG2
|
A:ILE34
|
4.5
|
6.6
|
1.0
|
CA
|
A:ASP41
|
4.6
|
15.6
|
1.0
|
SG
|
A:CYS45
|
4.7
|
16.9
|
1.0
|
N
|
A:CYS42
|
4.8
|
14.2
|
1.0
|
CD1
|
A:PHE2
|
4.8
|
14.2
|
1.0
|
N
|
A:PHE2
|
4.9
|
14.3
|
1.0
|
SG
|
A:CYS20
|
4.9
|
15.1
|
1.0
|
SG
|
A:CYS42
|
5.0
|
15.2
|
1.0
|
C
|
A:ILE40
|
5.0
|
14.6
|
1.0
|
CG
|
A:PHE2
|
5.0
|
14.1
|
1.0
|
|
Iron binding site 2 out
of 7 in 5fd1
Go back to
Iron Binding Sites List in 5fd1
Iron binding site 2 out
of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe107
b:17.7
occ:1.00
|
FE2
|
A:SF4107
|
0.0
|
17.7
|
1.0
|
S1
|
A:SF4107
|
2.3
|
14.9
|
1.0
|
S3
|
A:SF4107
|
2.3
|
14.5
|
1.0
|
SG
|
A:CYS42
|
2.3
|
15.2
|
1.0
|
S4
|
A:SF4107
|
2.3
|
14.3
|
1.0
|
FE3
|
A:SF4107
|
2.7
|
14.6
|
1.0
|
FE4
|
A:SF4107
|
2.7
|
15.2
|
1.0
|
FE1
|
A:SF4107
|
2.8
|
13.8
|
1.0
|
CB
|
A:CYS42
|
3.6
|
14.1
|
1.0
|
N
|
A:CYS42
|
3.6
|
14.2
|
1.0
|
N
|
A:ALA43
|
3.9
|
14.3
|
1.0
|
S2
|
A:SF4107
|
3.9
|
16.0
|
1.0
|
CA
|
A:CYS42
|
4.0
|
13.6
|
1.0
|
CD
|
A:PRO21
|
4.1
|
13.0
|
1.0
|
C
|
A:CYS42
|
4.2
|
15.1
|
1.0
|
N
|
A:LEU44
|
4.3
|
16.7
|
1.0
|
N
|
A:ASP41
|
4.6
|
14.0
|
1.0
|
C
|
A:ASP41
|
4.6
|
15.2
|
1.0
|
SG
|
A:CYS45
|
4.7
|
16.9
|
1.0
|
SG
|
A:CYS39
|
4.7
|
14.1
|
1.0
|
CA
|
A:ALA43
|
4.7
|
13.6
|
1.0
|
SG
|
A:CYS20
|
4.7
|
15.1
|
1.0
|
CG
|
A:PRO21
|
4.7
|
11.9
|
1.0
|
CG1
|
A:ILE40
|
4.8
|
13.6
|
1.0
|
CA
|
A:ASP41
|
4.9
|
15.6
|
1.0
|
C
|
A:ALA43
|
4.9
|
14.6
|
1.0
|
CB
|
A:LEU44
|
4.9
|
15.8
|
1.0
|
N
|
A:CYS45
|
4.9
|
16.4
|
1.0
|
|
Iron binding site 3 out
of 7 in 5fd1
Go back to
Iron Binding Sites List in 5fd1
Iron binding site 3 out
of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe107
b:14.6
occ:1.00
|
FE3
|
A:SF4107
|
0.0
|
14.6
|
1.0
|
S2
|
A:SF4107
|
2.3
|
16.0
|
1.0
|
S4
|
A:SF4107
|
2.3
|
14.3
|
1.0
|
S1
|
A:SF4107
|
2.3
|
14.9
|
1.0
|
SG
|
A:CYS45
|
2.3
|
16.9
|
1.0
|
FE1
|
A:SF4107
|
2.6
|
13.8
|
1.0
|
FE2
|
A:SF4107
|
2.7
|
17.7
|
1.0
|
FE4
|
A:SF4107
|
2.7
|
15.2
|
1.0
|
CB
|
A:CYS45
|
3.4
|
16.8
|
1.0
|
S3
|
A:SF4107
|
3.8
|
14.5
|
1.0
|
N
|
A:CYS45
|
4.1
|
16.4
|
1.0
|
CA
|
A:CYS45
|
4.3
|
16.4
|
1.0
|
CB
|
A:PHE2
|
4.4
|
13.4
|
1.0
|
CZ
|
A:PHE25
|
4.5
|
12.9
|
1.0
|
CE2
|
A:PHE25
|
4.5
|
14.4
|
1.0
|
CD1
|
A:ILE34
|
4.6
|
7.2
|
1.0
|
SG
|
A:CYS42
|
4.6
|
15.2
|
1.0
|
SG
|
A:CYS39
|
4.7
|
14.1
|
1.0
|
CG
|
A:PHE2
|
4.7
|
14.1
|
1.0
|
N
|
A:LEU44
|
4.8
|
16.7
|
1.0
|
SG
|
A:CYS20
|
4.9
|
15.1
|
1.0
|
N
|
A:ALA43
|
4.9
|
14.3
|
1.0
|
|
Iron binding site 4 out
of 7 in 5fd1
Go back to
Iron Binding Sites List in 5fd1
Iron binding site 4 out
of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe107
b:15.2
occ:1.00
|
FE4
|
A:SF4107
|
0.0
|
15.2
|
1.0
|
S1
|
A:SF4107
|
2.3
|
14.9
|
1.0
|
S3
|
A:SF4107
|
2.3
|
14.5
|
1.0
|
S2
|
A:SF4107
|
2.3
|
16.0
|
1.0
|
SG
|
A:CYS20
|
2.3
|
15.1
|
1.0
|
FE2
|
A:SF4107
|
2.7
|
17.7
|
1.0
|
FE3
|
A:SF4107
|
2.7
|
14.6
|
1.0
|
FE1
|
A:SF4107
|
2.8
|
13.8
|
1.0
|
CB
|
A:CYS20
|
3.4
|
14.4
|
1.0
|
SG
|
A:CYS24
|
3.6
|
13.4
|
1.0
|
CA
|
A:CYS20
|
3.7
|
16.1
|
1.0
|
S4
|
A:SF4107
|
3.9
|
14.3
|
1.0
|
CE2
|
A:PHE25
|
4.2
|
14.4
|
1.0
|
CD
|
A:PRO21
|
4.3
|
13.0
|
1.0
|
C
|
A:CYS20
|
4.5
|
16.1
|
1.0
|
CG2
|
A:VAL22
|
4.6
|
14.5
|
1.0
|
N
|
A:PRO21
|
4.7
|
13.9
|
1.0
|
SG
|
A:CYS42
|
4.7
|
15.2
|
1.0
|
SG
|
A:CYS45
|
4.8
|
16.9
|
1.0
|
CD2
|
A:PHE25
|
4.8
|
15.0
|
1.0
|
N
|
A:CYS20
|
4.9
|
18.5
|
1.0
|
CZ
|
A:PHE25
|
4.9
|
12.9
|
1.0
|
SG
|
A:CYS39
|
4.9
|
14.1
|
1.0
|
|
Iron binding site 5 out
of 7 in 5fd1
Go back to
Iron Binding Sites List in 5fd1
Iron binding site 5 out
of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe108
b:16.0
occ:1.00
|
FE1
|
A:F3S108
|
0.0
|
16.0
|
1.0
|
S2
|
A:F3S108
|
2.3
|
14.1
|
1.0
|
S3
|
A:F3S108
|
2.3
|
13.6
|
1.0
|
S1
|
A:F3S108
|
2.3
|
13.6
|
1.0
|
SG
|
A:CYS16
|
2.3
|
15.5
|
1.0
|
FE4
|
A:F3S108
|
2.6
|
17.1
|
1.0
|
FE3
|
A:F3S108
|
2.7
|
14.1
|
1.0
|
CB
|
A:CYS16
|
3.3
|
14.0
|
1.0
|
S4
|
A:F3S108
|
3.9
|
14.6
|
1.0
|
N
|
A:THR14
|
4.0
|
14.2
|
1.0
|
CA
|
A:THR14
|
4.1
|
13.9
|
1.0
|
N
|
A:CYS16
|
4.1
|
14.6
|
1.0
|
CD2
|
A:LEU32
|
4.2
|
13.7
|
1.0
|
CA
|
A:CYS16
|
4.3
|
14.0
|
1.0
|
C
|
A:THR14
|
4.5
|
13.7
|
1.0
|
N
|
A:ASP15
|
4.6
|
14.9
|
1.0
|
CD1
|
A:ILE54
|
4.7
|
12.3
|
1.0
|
SG
|
A:CYS49
|
4.7
|
14.8
|
1.0
|
SG
|
A:CYS8
|
4.8
|
12.1
|
1.0
|
N
|
A:TYR13
|
5.0
|
15.1
|
1.0
|
CB
|
A:LEU32
|
5.0
|
13.3
|
1.0
|
|
Iron binding site 6 out
of 7 in 5fd1
Go back to
Iron Binding Sites List in 5fd1
Iron binding site 6 out
of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe108
b:14.1
occ:1.00
|
FE3
|
A:F3S108
|
0.0
|
14.1
|
1.0
|
S3
|
A:F3S108
|
2.3
|
13.6
|
1.0
|
SG
|
A:CYS8
|
2.3
|
12.1
|
1.0
|
S4
|
A:F3S108
|
2.3
|
14.6
|
1.0
|
S1
|
A:F3S108
|
2.3
|
13.6
|
1.0
|
FE4
|
A:F3S108
|
2.6
|
17.1
|
1.0
|
FE1
|
A:F3S108
|
2.7
|
16.0
|
1.0
|
CB
|
A:CYS8
|
3.2
|
10.7
|
1.0
|
S2
|
A:F3S108
|
3.9
|
14.1
|
1.0
|
CA
|
A:CYS8
|
3.9
|
11.1
|
1.0
|
CA
|
A:LYS12
|
4.0
|
12.9
|
1.0
|
N
|
A:TYR13
|
4.3
|
15.1
|
1.0
|
N
|
A:LYS12
|
4.4
|
13.0
|
1.0
|
CG1
|
A:VAL4
|
4.4
|
7.0
|
1.0
|
O
|
A:CYS8
|
4.6
|
12.2
|
1.0
|
SG
|
A:CYS49
|
4.7
|
14.8
|
1.0
|
C
|
A:CYS8
|
4.7
|
12.3
|
1.0
|
C
|
A:LYS12
|
4.7
|
14.1
|
1.0
|
CB
|
A:LEU32
|
4.7
|
13.3
|
1.0
|
SG
|
A:CYS16
|
4.8
|
15.5
|
1.0
|
N
|
A:THR14
|
4.9
|
14.2
|
1.0
|
N
|
A:LEU32
|
5.0
|
12.6
|
1.0
|
|
Iron binding site 7 out
of 7 in 5fd1
Go back to
Iron Binding Sites List in 5fd1
Iron binding site 7 out
of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe108
b:17.1
occ:1.00
|
FE4
|
A:F3S108
|
0.0
|
17.1
|
1.0
|
S2
|
A:F3S108
|
2.3
|
14.1
|
1.0
|
S3
|
A:F3S108
|
2.3
|
13.6
|
1.0
|
S4
|
A:F3S108
|
2.3
|
14.6
|
1.0
|
SG
|
A:CYS49
|
2.3
|
14.8
|
1.0
|
FE3
|
A:F3S108
|
2.6
|
14.1
|
1.0
|
FE1
|
A:F3S108
|
2.6
|
16.0
|
1.0
|
CB
|
A:CYS49
|
3.3
|
15.0
|
1.0
|
CA
|
A:CYS49
|
3.8
|
16.0
|
1.0
|
S1
|
A:F3S108
|
3.9
|
13.6
|
1.0
|
CD
|
A:PRO50
|
4.4
|
14.1
|
1.0
|
C
|
A:CYS49
|
4.4
|
15.4
|
1.0
|
CB
|
A:ALA51
|
4.5
|
14.8
|
1.0
|
N
|
A:PRO50
|
4.6
|
15.7
|
1.0
|
SG
|
A:CYS8
|
4.7
|
12.1
|
1.0
|
SG
|
A:CYS16
|
4.7
|
15.5
|
1.0
|
N
|
A:ALA51
|
4.7
|
15.7
|
1.0
|
CB
|
A:ALA53
|
4.8
|
9.7
|
1.0
|
CD2
|
A:TYR13
|
4.8
|
17.0
|
1.0
|
CB
|
A:TYR13
|
4.9
|
14.8
|
1.0
|
CB
|
A:CYS8
|
4.9
|
10.7
|
1.0
|
CB
|
A:CYS16
|
4.9
|
14.0
|
1.0
|
N
|
A:TYR13
|
5.0
|
15.1
|
1.0
|
|
Reference:
C.D.Stout,
C.D.Stout.
N/A N/A.
ISSN: ISSN 0021-9258
PubMed: 8245025
Page generated: Tue Aug 6 00:47:27 2024
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