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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

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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

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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

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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

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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

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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

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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, M.J.Holden, H.Kelly, H.Robinson, A.Heroux, V.L.Vilker, D.T.Gallagher. Structure of C73G Putidaredoxin From Pseudomonas Putida. Acta Crystallogr.,Sect.D V. 60 816 2004.
ISSN: ISSN 0907-4449
PubMed: 15103126
DOI: 10.1107/S0907444904003348
Page generated: Sat Aug 3 14:00:07 2024

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