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Iron in PDB 5vj7: Ferredoxin Nadp Oxidoreductase (Xfn)

Enzymatic activity of Ferredoxin Nadp Oxidoreductase (Xfn)

All present enzymatic activity of Ferredoxin Nadp Oxidoreductase (Xfn):
1.18.1.2;

Protein crystallography data

The structure of Ferredoxin Nadp Oxidoreductase (Xfn), PDB code: 5vj7 was solved by O.A.Zadvornyy, D.M.N.Nguyen, G.J.Schut, G.L.Lipscomb, M.Tokmina-Lukaszewska, M.W.W.Adams, J.W.Peters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.00 / 2.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.743, 73.140, 99.963, 90.00, 96.73, 90.00
R / Rfree (%) 18.3 / 25.1

Other elements in 5vj7:

The structure of Ferredoxin Nadp Oxidoreductase (Xfn) also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Ferredoxin Nadp Oxidoreductase (Xfn) (pdb code 5vj7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the Ferredoxin Nadp Oxidoreductase (Xfn), PDB code: 5vj7:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 10 in 5vj7

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Iron binding site 1 out of 10 in the Ferredoxin Nadp Oxidoreductase (Xfn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferredoxin Nadp Oxidoreductase (Xfn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:38.5
occ:1.00
FE1 A:SF4501 0.0 38.5 1.0
OE1 A:GLU126 1.8 34.3 1.0
S3 A:SF4501 2.1 39.5 1.0
S2 A:SF4501 2.1 37.8 1.0
S4 A:SF4501 2.1 39.2 1.0
CD A:GLU126 2.8 60.4 1.0
FE4 A:SF4501 3.0 39.5 1.0
FE2 A:SF4501 3.0 40.2 1.0
FE3 A:SF4501 3.0 41.0 1.0
OE2 A:GLU126 3.3 54.3 1.0
S1 A:SF4501 3.7 39.6 1.0
OG1 A:THR97 4.1 33.1 1.0
CG A:GLU126 4.1 46.4 1.0
CD1 A:ILE60 4.1 34.5 1.0
SG A:CYS101 4.4 37.1 1.0
CB A:GLU126 4.4 35.0 1.0
CB A:THR97 4.5 29.7 1.0
N A:GLY98 4.6 27.7 1.0
ND2 A:ASN91 4.7 27.9 1.0
C A:THR97 4.7 31.9 1.0
CA A:GLY98 4.8 27.4 1.0
O A:THR97 4.9 31.5 1.0
SG A:CYS56 4.9 40.7 1.0

Iron binding site 2 out of 10 in 5vj7

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Iron binding site 2 out of 10 in the Ferredoxin Nadp Oxidoreductase (Xfn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferredoxin Nadp Oxidoreductase (Xfn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:40.2
occ:1.00
FE2 A:SF4501 0.0 40.2 1.0
S4 A:SF4501 2.1 39.2 1.0
S1 A:SF4501 2.1 39.6 1.0
S3 A:SF4501 2.1 39.5 1.0
SG A:CYS101 2.3 37.1 1.0
CB A:CYS101 2.9 33.3 1.0
FE1 A:SF4501 3.0 38.5 1.0
FE4 A:SF4501 3.0 39.5 1.0
FE3 A:SF4501 3.0 41.0 1.0
S2 A:SF4501 3.7 37.8 1.0
NE2 A:GLN106 3.8 40.1 1.0
O A:THR97 4.2 31.5 1.0
CB A:THR97 4.2 29.7 1.0
CA A:CYS101 4.4 33.0 1.0
CG1 A:ILE454 4.5 35.0 1.0
CB A:ILE454 4.6 35.0 1.0
OE1 A:GLU126 4.6 34.3 1.0
C A:THR97 4.6 31.9 1.0
CG2 A:ILE454 4.6 35.4 1.0
OG1 A:THR97 4.8 33.1 1.0
SG A:CYS56 4.9 40.7 1.0
CA A:THR97 4.9 28.4 1.0
NE2 A:GLN103 4.9 15.7 1.0
CD1 A:ILE454 4.9 32.8 1.0

Iron binding site 3 out of 10 in 5vj7

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Iron binding site 3 out of 10 in the Ferredoxin Nadp Oxidoreductase (Xfn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ferredoxin Nadp Oxidoreductase (Xfn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:41.0
occ:1.00
FE3 A:SF4501 0.0 41.0 1.0
S2 A:SF4501 2.1 37.8 1.0
S1 A:SF4501 2.1 39.6 1.0
S4 A:SF4501 2.1 39.2 1.0
SG A:CYS107 2.2 41.8 1.0
FE1 A:SF4501 3.0 38.5 1.0
FE4 A:SF4501 3.0 39.5 1.0
FE2 A:SF4501 3.0 40.2 1.0
CB A:CYS107 3.2 38.0 1.0
S3 A:SF4501 3.7 39.5 1.0
CG A:GLN103 4.1 34.6 1.0
CG2 A:ILE122 4.2 36.3 1.0
CA A:CYS107 4.5 37.6 1.0
N A:CYS107 4.5 38.5 1.0
OE1 A:GLU126 4.6 34.3 1.0
SG A:CYS56 4.8 40.7 1.0
CB A:CYS56 4.8 36.9 1.0
CB A:ILE122 4.8 35.0 1.0
CB A:CYS101 4.9 33.3 1.0
NE2 A:GLN106 4.9 40.1 1.0
NE2 A:GLN103 4.9 15.7 1.0
N A:GLY123 5.0 31.6 1.0
SG A:CYS101 5.0 37.1 1.0

Iron binding site 4 out of 10 in 5vj7

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Iron binding site 4 out of 10 in the Ferredoxin Nadp Oxidoreductase (Xfn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ferredoxin Nadp Oxidoreductase (Xfn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:39.5
occ:1.00
FE4 A:SF4501 0.0 39.5 1.0
SG A:CYS56 2.1 40.7 1.0
S1 A:SF4501 2.1 39.6 1.0
S2 A:SF4501 2.1 37.8 1.0
S3 A:SF4501 2.1 39.5 1.0
FE1 A:SF4501 3.0 38.5 1.0
FE2 A:SF4501 3.0 40.2 1.0
FE3 A:SF4501 3.0 41.0 1.0
CB A:CYS56 3.1 36.9 1.0
S4 A:SF4501 3.7 39.2 1.0
CD1 A:ILE60 3.8 34.5 1.0
CA A:CYS56 3.9 36.4 1.0
CD A:PRO57 4.5 38.7 1.0
CG1 A:ILE60 4.6 34.0 1.0
C A:CYS56 4.6 41.0 1.0
CG1 A:ILE454 4.7 35.0 1.0
OE1 A:GLU126 4.7 34.3 1.0
N A:PRO57 4.8 37.5 1.0
CD1 A:ILE454 4.8 32.8 1.0
CB A:CYS107 4.9 38.0 1.0
SG A:CYS107 4.9 41.8 1.0
CB A:ILE60 5.0 35.0 1.0

Iron binding site 5 out of 10 in 5vj7

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Iron binding site 5 out of 10 in the Ferredoxin Nadp Oxidoreductase (Xfn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Ferredoxin Nadp Oxidoreductase (Xfn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:53.0
occ:1.00
FE1 A:SF4502 0.0 53.0 1.0
S3 A:SF4502 2.1 46.8 1.0
S2 A:SF4502 2.1 45.2 1.0
S4 A:SF4502 2.1 45.1 1.0
SG A:CYS45 2.2 49.2 1.0
FE4 A:SF4502 3.0 43.1 1.0
FE2 A:SF4502 3.0 45.0 1.0
FE3 A:SF4502 3.0 41.6 1.0
CB A:CYS45 3.2 45.7 1.0
S1 A:SF4502 3.7 40.9 1.0
CG2 A:VAL112 3.8 52.6 1.0
N A:CYS45 3.9 45.3 1.0
CA A:CYS45 4.2 45.8 1.0
SG A:CYS52 4.7 44.0 1.0
SG A:CYS42 4.7 47.4 1.0
N A:LEU43 4.8 40.9 1.0
N A:GLN44 4.8 44.2 1.0
CB A:LEU43 4.9 41.2 1.0
CD A:PRO51 5.0 42.2 1.0

Iron binding site 6 out of 10 in 5vj7

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Iron binding site 6 out of 10 in the Ferredoxin Nadp Oxidoreductase (Xfn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Ferredoxin Nadp Oxidoreductase (Xfn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:45.0
occ:1.00
FE2 A:SF4502 0.0 45.0 1.0
SG A:CYS52 2.1 44.0 1.0
S4 A:SF4502 2.1 45.1 1.0
S3 A:SF4502 2.1 46.8 1.0
S1 A:SF4502 2.1 40.9 1.0
CB A:CYS52 2.9 39.8 1.0
FE1 A:SF4502 3.0 53.0 1.0
FE3 A:SF4502 3.0 41.6 1.0
FE4 A:SF4502 3.0 43.1 1.0
S2 A:SF4502 3.7 45.2 1.0
CG2 A:ILE62 4.1 36.2 1.0
CA A:CYS52 4.2 39.5 1.0
N A:CYS52 4.3 40.2 1.0
CD A:PRO63 4.6 41.9 1.0
CD1 A:ILE122 4.6 34.3 1.0
SG A:CYS42 4.7 47.4 1.0
CB A:ILE62 4.7 37.1 1.0
SG A:CYS111 4.8 43.4 1.0
CB A:ALA50 5.0 42.3 1.0

Iron binding site 7 out of 10 in 5vj7

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Iron binding site 7 out of 10 in the Ferredoxin Nadp Oxidoreductase (Xfn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Ferredoxin Nadp Oxidoreductase (Xfn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:41.6
occ:1.00
FE3 A:SF4502 0.0 41.6 1.0
SG A:CYS42 2.0 47.4 1.0
S1 A:SF4502 2.1 40.9 1.0
S4 A:SF4502 2.1 45.1 1.0
S2 A:SF4502 2.1 45.2 1.0
FE4 A:SF4502 3.0 43.1 1.0
FE1 A:SF4502 3.0 53.0 1.0
FE2 A:SF4502 3.0 45.0 1.0
CB A:CYS42 3.2 43.4 1.0
CA A:CYS42 3.5 42.7 1.0
S3 A:SF4502 3.7 46.8 1.0
N A:LEU43 3.8 40.9 1.0
C A:CYS42 4.0 44.1 1.0
CG1 A:ILE120 4.2 40.9 1.0
N A:GLN44 4.3 44.2 1.0
SG A:CYS45 4.8 49.2 1.0
CA A:LEU43 4.8 41.2 1.0
CD1 A:ILE66 4.9 51.7 1.0
CB A:ILE120 4.9 40.4 1.0
N A:CYS42 4.9 43.0 1.0
CA A:GLN44 5.0 44.0 1.0
N A:CYS45 5.0 45.3 1.0
SG A:CYS52 5.0 44.0 1.0

Iron binding site 8 out of 10 in 5vj7

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Iron binding site 8 out of 10 in the Ferredoxin Nadp Oxidoreductase (Xfn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Ferredoxin Nadp Oxidoreductase (Xfn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:43.1
occ:1.00
FE4 A:SF4502 0.0 43.1 1.0
S2 A:SF4502 2.1 45.2 1.0
S1 A:SF4502 2.1 40.9 1.0
S3 A:SF4502 2.1 46.8 1.0
SG A:CYS111 2.3 43.4 1.0
FE1 A:SF4502 3.0 53.0 1.0
FE3 A:SF4502 3.0 41.6 1.0
FE2 A:SF4502 3.0 45.0 1.0
CB A:CYS111 3.4 40.3 1.0
S4 A:SF4502 3.7 45.1 1.0
CG1 A:ILE120 3.8 40.9 1.0
CA A:CYS111 3.8 41.2 1.0
N A:VAL112 4.0 47.8 1.0
CG2 A:VAL113 4.2 47.9 1.0
C A:CYS111 4.2 48.4 1.0
CG2 A:VAL112 4.3 52.6 1.0
CB A:ILE120 4.4 40.4 1.0
N A:VAL113 4.6 47.2 1.0
CB A:CYS52 4.8 39.8 1.0
CB A:VAL113 4.9 48.9 1.0
N A:ILE120 4.9 37.9 1.0
SG A:CYS52 4.9 44.0 1.0
SG A:CYS42 5.0 47.4 1.0

Iron binding site 9 out of 10 in 5vj7

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Iron binding site 9 out of 10 in the Ferredoxin Nadp Oxidoreductase (Xfn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Ferredoxin Nadp Oxidoreductase (Xfn) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe302

b:35.9
occ:1.00
FE1 B:FES302 0.0 35.9 1.0
SG B:CYS245 1.9 34.9 1.0
SG B:CYS233 2.2 35.9 1.0
S1 B:FES302 2.2 39.5 1.0
S2 B:FES302 2.2 35.4 1.0
CB B:CYS245 3.0 31.2 1.0
FE2 B:FES302 3.1 36.7 1.0
CB B:CYS233 3.6 32.4 1.0
N B:CYS245 4.0 31.2 1.0
CA B:CYS245 4.1 31.3 1.0
N B:GLY228 4.2 37.4 1.0
CA B:GLY226 4.3 36.2 1.0
CA B:GLY228 4.4 37.1 1.0
OD1 B:ASP225 4.4 34.3 1.0
N B:GLY226 4.5 36.2 1.0
OD2 B:ASP225 4.5 33.3 1.0
CB B:PHE243 4.5 29.7 1.0
N B:CYS233 4.6 33.1 1.0
N B:THR227 4.6 37.0 1.0
C B:GLY226 4.6 40.1 1.0
CA B:CYS233 4.7 32.6 1.0
SG B:CYS230 4.7 36.8 1.0
CG B:ASP225 4.8 34.7 1.0
C B:CYS245 4.8 37.8 1.0
CG B:MET223 5.0 32.1 1.0
CD2 B:PHE243 5.0 30.7 1.0
CG B:PHE243 5.0 29.7 1.0

Iron binding site 10 out of 10 in 5vj7

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Iron binding site 10 out of 10 in the Ferredoxin Nadp Oxidoreductase (Xfn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Ferredoxin Nadp Oxidoreductase (Xfn) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe302

b:36.7
occ:1.00
FE2 B:FES302 0.0 36.7 1.0
SG B:CYS230 1.7 36.8 1.0
OD1 B:ASP225 2.0 34.3 1.0
S1 B:FES302 2.2 39.5 1.0
S2 B:FES302 2.2 35.4 1.0
CG B:ASP225 3.0 34.7 1.0
FE1 B:FES302 3.1 35.9 1.0
CB B:CYS230 3.4 33.3 1.0
OD2 B:ASP225 3.4 33.3 1.0
N B:GLY231 3.8 31.8 1.0
N B:CYS230 3.9 34.6 1.0
N B:ASP225 3.9 31.4 1.0
CA B:CYS230 3.9 33.5 1.0
N B:ALA232 4.1 34.4 1.0
C B:CYS230 4.2 36.1 1.0
N B:GLY226 4.2 36.2 1.0
N B:VAL224 4.2 29.5 1.0
CB B:ASP225 4.3 33.4 1.0
SG B:CYS233 4.4 35.9 1.0
CB B:ALA232 4.5 34.2 1.0
CA B:ASP225 4.6 31.9 1.0
SG B:CYS245 4.7 34.9 1.0
CB B:VAL224 4.7 35.4 1.0
CA B:VAL224 4.7 30.0 1.0
CA B:GLY231 4.7 32.2 1.0
C B:VAL224 4.8 34.5 1.0
N B:MET229 4.8 39.8 1.0
C B:MET229 4.9 40.6 1.0
CA B:ALA232 4.9 33.6 1.0
N B:CYS233 4.9 33.1 1.0
C B:ASP225 4.9 38.4 1.0
C B:GLY231 4.9 37.8 1.0

Reference:

D.M.N.Nguyen, G.J.Schut, O.A.Zadvornyy, M.Tokmina-Lukaszewska, S.Poudel, G.L.Lipscomb, L.A.Adams, J.T.Dinsmore, W.J.Nixon, E.S.Boyd, B.Bothner, J.W.Peters, M.W.W.Adams. Two Functionally Distinct Nadp(+)-Dependent Ferredoxin Oxidoreductases Maintain the Primary Redox Balance of Pyrococcus Furiosus. J. Biol. Chem. V. 292 14603 2017.
ISSN: ESSN 1083-351X
PubMed: 28705933
DOI: 10.1074/JBC.M117.794172
Page generated: Tue Aug 6 10:26:26 2024

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