Iron in PDB 1r7s: Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant
Protein crystallography data
The structure of Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant, PDB code: 1r7s
was solved by
N.Smith,
M.Mayhew,
H.Kelly,
H.Robinson,
A.Heroux,
M.J.Holden,
D.T.Gallagher,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
10.00 /
1.91
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
145.076,
78.218,
55.739,
90.00,
111.33,
90.00
|
R / Rfree (%)
|
18.8 /
21.1
|
Iron Binding Sites:
The binding sites of Iron atom in the Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant
(pdb code 1r7s). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the
Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant, PDB code: 1r7s:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 1r7s
Go back to
Iron Binding Sites List in 1r7s
Iron binding site 1 out
of 6 in the Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe117
b:19.2
occ:1.00
|
FE1
|
A:FES117
|
0.0
|
19.2
|
1.0
|
S1
|
A:FES117
|
2.2
|
19.6
|
1.0
|
S2
|
A:FES117
|
2.3
|
17.7
|
1.0
|
SG
|
A:CYS39
|
2.4
|
15.3
|
1.0
|
SG
|
A:CYS45
|
2.4
|
17.1
|
1.0
|
FE2
|
A:FES117
|
2.7
|
18.9
|
1.0
|
CB
|
A:CYS39
|
3.4
|
15.6
|
1.0
|
CB
|
A:CYS45
|
3.6
|
17.8
|
1.0
|
N
|
A:CYS45
|
3.6
|
16.9
|
1.0
|
N
|
A:CYS39
|
3.8
|
15.5
|
1.0
|
CA
|
A:CYS45
|
4.0
|
18.7
|
1.0
|
CA
|
A:CYS39
|
4.1
|
15.3
|
1.0
|
N
|
A:SER44
|
4.1
|
17.5
|
1.0
|
N
|
A:GLY41
|
4.1
|
15.6
|
1.0
|
N
|
A:ALA46
|
4.2
|
18.5
|
1.0
|
N
|
A:ALA43
|
4.4
|
16.7
|
1.0
|
SG
|
A:CYS86
|
4.4
|
15.1
|
1.0
|
N
|
A:GLY40
|
4.5
|
15.9
|
1.0
|
C
|
A:CYS39
|
4.5
|
16.6
|
1.0
|
C
|
A:CYS45
|
4.5
|
20.8
|
1.0
|
C
|
A:SER44
|
4.5
|
17.1
|
1.0
|
CA
|
A:GLY41
|
4.6
|
14.4
|
1.0
|
SG
|
A:CYS48
|
4.6
|
15.9
|
1.0
|
N
|
A:THR47
|
4.7
|
15.8
|
1.0
|
CA
|
A:ALA43
|
4.7
|
17.2
|
1.0
|
N
|
A:ASP38
|
4.7
|
15.2
|
1.0
|
C
|
A:GLY37
|
4.7
|
16.4
|
1.0
|
N
|
A:SER42
|
4.7
|
15.2
|
1.0
|
OG1
|
A:THR47
|
4.8
|
14.6
|
1.0
|
CA
|
A:GLY37
|
4.8
|
15.0
|
1.0
|
CA
|
A:SER44
|
4.8
|
17.6
|
1.0
|
C
|
A:ALA43
|
4.9
|
18.6
|
1.0
|
C
|
A:ASP38
|
5.0
|
14.3
|
1.0
|
|
Iron binding site 2 out
of 6 in 1r7s
Go back to
Iron Binding Sites List in 1r7s
Iron binding site 2 out
of 6 in the Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe117
b:18.9
occ:1.00
|
FE2
|
A:FES117
|
0.0
|
18.9
|
1.0
|
S2
|
A:FES117
|
2.2
|
17.7
|
1.0
|
S1
|
A:FES117
|
2.2
|
19.6
|
1.0
|
SG
|
A:CYS48
|
2.3
|
15.9
|
1.0
|
SG
|
A:CYS86
|
2.3
|
15.1
|
1.0
|
FE1
|
A:FES117
|
2.7
|
19.2
|
1.0
|
CB
|
A:CYS86
|
3.3
|
15.2
|
1.0
|
CB
|
A:CYS48
|
3.4
|
16.0
|
1.0
|
N
|
A:CYS86
|
4.2
|
15.7
|
1.0
|
CA
|
A:CYS86
|
4.3
|
15.4
|
1.0
|
CB
|
A:LEU84
|
4.4
|
15.9
|
1.0
|
CA
|
A:GLY41
|
4.4
|
14.4
|
1.0
|
N
|
A:CYS48
|
4.4
|
14.8
|
1.0
|
SG
|
A:CYS45
|
4.5
|
17.1
|
1.0
|
SG
|
A:CYS39
|
4.5
|
15.3
|
1.0
|
CA
|
A:CYS48
|
4.5
|
14.4
|
1.0
|
N
|
A:ALA43
|
4.6
|
16.7
|
1.0
|
N
|
A:GLY41
|
4.7
|
15.6
|
1.0
|
CA
|
A:ALA43
|
4.7
|
17.2
|
1.0
|
C
|
A:GLY41
|
4.9
|
15.7
|
1.0
|
|
Iron binding site 3 out
of 6 in 1r7s
Go back to
Iron Binding Sites List in 1r7s
Iron binding site 3 out
of 6 in the Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe127
b:19.1
occ:1.00
|
FE1
|
B:FES127
|
0.0
|
19.1
|
1.0
|
S2
|
B:FES127
|
2.2
|
18.1
|
1.0
|
S1
|
B:FES127
|
2.2
|
19.0
|
1.0
|
SG
|
B:CYS45
|
2.3
|
18.2
|
1.0
|
SG
|
B:CYS39
|
2.3
|
18.6
|
1.0
|
FE2
|
B:FES127
|
2.7
|
18.8
|
1.0
|
CB
|
B:CYS39
|
3.4
|
17.2
|
1.0
|
CB
|
B:CYS45
|
3.6
|
19.4
|
1.0
|
N
|
B:CYS45
|
3.6
|
17.8
|
1.0
|
N
|
B:CYS39
|
3.7
|
16.0
|
1.0
|
CA
|
B:CYS45
|
4.0
|
18.5
|
1.0
|
CA
|
B:CYS39
|
4.0
|
17.7
|
1.0
|
N
|
B:SER44
|
4.1
|
18.6
|
1.0
|
N
|
B:GLY41
|
4.2
|
20.4
|
1.0
|
N
|
B:ALA46
|
4.2
|
19.4
|
1.0
|
N
|
B:ALA43
|
4.4
|
24.7
|
1.0
|
SG
|
B:CYS86
|
4.5
|
17.4
|
1.0
|
N
|
B:GLY40
|
4.5
|
18.2
|
1.0
|
C
|
B:CYS45
|
4.5
|
19.3
|
1.0
|
C
|
B:CYS39
|
4.5
|
18.8
|
1.0
|
C
|
B:SER44
|
4.5
|
19.8
|
1.0
|
CA
|
B:GLY41
|
4.6
|
22.5
|
1.0
|
N
|
B:SER42
|
4.6
|
23.7
|
1.0
|
SG
|
B:CYS48
|
4.6
|
16.0
|
1.0
|
OG1
|
B:THR47
|
4.6
|
22.0
|
1.0
|
C
|
B:GLY37
|
4.7
|
16.8
|
1.0
|
CA
|
B:ALA43
|
4.7
|
22.1
|
1.0
|
N
|
B:ASP38
|
4.7
|
15.0
|
1.0
|
N
|
B:THR47
|
4.7
|
17.1
|
1.0
|
CA
|
B:GLY37
|
4.8
|
16.1
|
1.0
|
CA
|
B:SER44
|
4.9
|
20.2
|
1.0
|
C
|
B:ASP38
|
4.9
|
17.6
|
1.0
|
C
|
B:ALA43
|
4.9
|
22.1
|
1.0
|
O
|
B:GLY37
|
5.0
|
18.2
|
1.0
|
|
Iron binding site 4 out
of 6 in 1r7s
Go back to
Iron Binding Sites List in 1r7s
Iron binding site 4 out
of 6 in the Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe127
b:18.8
occ:1.00
|
FE2
|
B:FES127
|
0.0
|
18.8
|
1.0
|
S1
|
B:FES127
|
2.2
|
19.0
|
1.0
|
S2
|
B:FES127
|
2.2
|
18.1
|
1.0
|
SG
|
B:CYS48
|
2.3
|
16.0
|
1.0
|
SG
|
B:CYS86
|
2.3
|
17.4
|
1.0
|
FE1
|
B:FES127
|
2.7
|
19.1
|
1.0
|
CB
|
B:CYS86
|
3.3
|
17.0
|
1.0
|
CB
|
B:CYS48
|
3.4
|
13.2
|
1.0
|
N
|
B:CYS86
|
4.2
|
15.2
|
1.0
|
CA
|
B:GLY41
|
4.3
|
22.5
|
1.0
|
CA
|
B:CYS86
|
4.3
|
16.6
|
1.0
|
CB
|
B:LEU84
|
4.4
|
15.7
|
1.0
|
N
|
B:CYS48
|
4.4
|
12.8
|
1.0
|
SG
|
B:CYS45
|
4.5
|
18.2
|
1.0
|
CA
|
B:CYS48
|
4.5
|
13.1
|
1.0
|
SG
|
B:CYS39
|
4.5
|
18.6
|
1.0
|
N
|
B:ALA43
|
4.6
|
24.7
|
1.0
|
N
|
B:GLY41
|
4.7
|
20.4
|
1.0
|
CA
|
B:ALA43
|
4.7
|
22.1
|
1.0
|
CD1
|
B:LEU84
|
4.9
|
17.2
|
1.0
|
C
|
B:GLY41
|
4.9
|
23.6
|
1.0
|
|
Iron binding site 5 out
of 6 in 1r7s
Go back to
Iron Binding Sites List in 1r7s
Iron binding site 5 out
of 6 in the Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe137
b:23.0
occ:1.00
|
FE1
|
C:FES137
|
0.0
|
23.0
|
1.0
|
S2
|
C:FES137
|
2.2
|
20.0
|
1.0
|
S1
|
C:FES137
|
2.3
|
20.9
|
1.0
|
SG
|
C:CYS45
|
2.3
|
20.7
|
1.0
|
SG
|
C:CYS39
|
2.3
|
22.6
|
1.0
|
FE2
|
C:FES137
|
2.7
|
22.8
|
1.0
|
CB
|
C:CYS39
|
3.5
|
19.6
|
1.0
|
N
|
C:CYS45
|
3.5
|
19.9
|
1.0
|
CB
|
C:CYS45
|
3.6
|
21.2
|
1.0
|
N
|
C:CYS39
|
3.8
|
20.2
|
1.0
|
CA
|
C:CYS45
|
4.0
|
21.3
|
1.0
|
N
|
C:SER44
|
4.1
|
25.1
|
1.0
|
CA
|
C:CYS39
|
4.1
|
20.8
|
1.0
|
N
|
C:ALA46
|
4.1
|
21.6
|
1.0
|
N
|
C:GLY41
|
4.2
|
19.2
|
1.0
|
SG
|
C:CYS86
|
4.4
|
20.8
|
1.0
|
C
|
C:SER44
|
4.4
|
22.7
|
1.0
|
C
|
C:CYS45
|
4.4
|
22.0
|
1.0
|
N
|
C:ALA43
|
4.5
|
23.8
|
1.0
|
CA
|
C:GLY41
|
4.5
|
21.5
|
1.0
|
C
|
C:CYS39
|
4.5
|
21.1
|
1.0
|
N
|
C:GLY40
|
4.6
|
20.5
|
1.0
|
N
|
C:SER42
|
4.6
|
25.2
|
1.0
|
C
|
C:GLY37
|
4.7
|
18.4
|
1.0
|
SG
|
C:CYS48
|
4.7
|
18.9
|
1.0
|
N
|
C:THR47
|
4.7
|
18.7
|
1.0
|
N
|
C:ASP38
|
4.7
|
18.5
|
1.0
|
OG1
|
C:THR47
|
4.7
|
19.7
|
1.0
|
CA
|
C:ALA43
|
4.7
|
24.1
|
1.0
|
CA
|
C:GLY37
|
4.8
|
18.0
|
1.0
|
CA
|
C:SER44
|
4.8
|
22.7
|
1.0
|
C
|
C:ALA43
|
4.9
|
25.5
|
1.0
|
O
|
C:GLY37
|
4.9
|
19.7
|
1.0
|
C
|
C:ASP38
|
5.0
|
21.0
|
1.0
|
|
Iron binding site 6 out
of 6 in 1r7s
Go back to
Iron Binding Sites List in 1r7s
Iron binding site 6 out
of 6 in the Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe137
b:22.8
occ:1.00
|
FE2
|
C:FES137
|
0.0
|
22.8
|
1.0
|
S2
|
C:FES137
|
2.2
|
20.0
|
1.0
|
S1
|
C:FES137
|
2.2
|
20.9
|
1.0
|
SG
|
C:CYS86
|
2.3
|
20.8
|
1.0
|
SG
|
C:CYS48
|
2.4
|
18.9
|
1.0
|
FE1
|
C:FES137
|
2.7
|
23.0
|
1.0
|
CB
|
C:CYS86
|
3.2
|
17.9
|
1.0
|
CB
|
C:CYS48
|
3.4
|
15.9
|
1.0
|
N
|
C:CYS86
|
4.2
|
16.8
|
1.0
|
CA
|
C:CYS86
|
4.3
|
17.1
|
1.0
|
CA
|
C:GLY41
|
4.3
|
21.5
|
1.0
|
CB
|
C:LEU84
|
4.4
|
17.7
|
1.0
|
SG
|
C:CYS45
|
4.5
|
20.7
|
1.0
|
N
|
C:CYS48
|
4.5
|
14.7
|
1.0
|
SG
|
C:CYS39
|
4.5
|
22.6
|
1.0
|
CA
|
C:CYS48
|
4.6
|
15.4
|
1.0
|
N
|
C:ALA43
|
4.6
|
23.8
|
1.0
|
CA
|
C:ALA43
|
4.7
|
24.1
|
1.0
|
N
|
C:GLY41
|
4.7
|
19.2
|
1.0
|
CD1
|
C:LEU84
|
4.8
|
19.6
|
1.0
|
CG
|
C:MET24
|
4.9
|
18.6
|
1.0
|
C
|
C:GLY41
|
4.9
|
22.5
|
1.0
|
CD2
|
C:LEU84
|
5.0
|
20.1
|
1.0
|
|
Reference:
N.Smith,
M.Mayhew,
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ISSN: ISSN 0907-4449
PubMed: 15103126
DOI: 10.1107/S0907444904003348
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