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Iron in PDB 7pwe: Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54

Enzymatic activity of Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54

All present enzymatic activity of Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54:
1.8.7.2;

Protein crystallography data

The structure of Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54, PDB code: 7pwe was solved by C.Didierjean, S.Mathiot, N.Rouhier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.42 / 2.08
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 123.6, 49.3, 86, 90, 116.5, 90
R / Rfree (%) 19.1 / 22.3

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54 (pdb code 7pwe). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54, PDB code: 7pwe:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 7pwe

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Iron binding site 1 out of 8 in the Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:21.1
occ:1.00
 FE1 A:SF4201 0.0 21.1 1.0
S3 A:SF4201 2.3 21.6 1.0
S2 A:SF4201 2.3 21.2 1.0
S4 A:SF4201 2.3 22.0 1.0
SG A:CYS164 2.3 21.6 1.0
FE2 A:SF4201 2.7 21.0 1.0
FE4 A:SF4201 2.7 20.8 1.0
FE3 A:SF4201 2.8 21.4 1.0
CB A:CYS164 3.2 21.1 1.0
S1 A:SF4201 3.9 22.2 1.0
N A:CYS166 4.1 22.4 1.0
CB A:CYS166 4.2 24.3 1.0
N A:TYR165 4.4 22.4 1.0
CB A:LEU168 4.4 23.1 1.0
SG A:CYS166 4.4 30.6 1.0
CA A:CYS164 4.4 21.4 1.0
CD2 A:TYR169 4.5 25.2 1.0
C A:CYS164 4.6 22.0 1.0
O A:HOH347 4.6 23.6 1.0
CA A:CYS166 4.7 23.2 1.0
SG A:CYS151 4.8 24.1 1.0
SG A:CYS149 4.8 23.2 1.0
N A:LEU168 4.9 22.9 1.0

Iron binding site 2 out of 8 in 7pwe

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Iron binding site 2 out of 8 in the Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:21.0
occ:1.00
 FE2 A:SF4201 0.0 21.0 1.0
S4 A:SF4201 2.2 22.0 1.0
S1 A:SF4201 2.3 22.2 1.0
SG A:CYS151 2.3 24.1 1.0
S3 A:SF4201 2.3 21.6 1.0
FE1 A:SF4201 2.7 21.1 1.0
FE3 A:SF4201 2.7 21.4 1.0
FE4 A:SF4201 2.8 20.8 1.0
CB A:CYS151 3.2 23.9 1.0
N A:CYS151 3.5 21.3 1.0
S2 A:SF4201 3.8 21.2 1.0
NH1 A:ARG135 3.9 22.7 1.0
CA A:CYS151 4.0 21.9 1.0
O A:HOH347 4.0 23.6 1.0
SG A:CYS132 4.6 26.3 1.0
CB A:ARG154 4.6 22.1 1.0
CB A:CYS164 4.6 21.1 1.0
C A:PRO150 4.7 22.1 1.0
SG A:CYS164 4.7 21.6 1.0
SG A:CYS149 4.8 23.2 1.0
CA A:PRO150 4.8 22.5 1.0
N A:ARG154 4.8 20.5 1.0
CB A:CYS132 4.9 25.8 1.0
C A:CYS151 4.9 23.0 1.0
CA A:ARG154 5.0 20.8 1.0

Iron binding site 3 out of 8 in 7pwe

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Iron binding site 3 out of 8 in the Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:21.4
occ:1.00
 FE3 A:SF4201 0.0 21.4 1.0
S1 A:SF4201 2.3 22.2 1.0
S2 A:SF4201 2.3 21.2 1.0
S4 A:SF4201 2.3 22.0 1.0
SG A:CYS132 2.5 26.3 1.0
FE2 A:SF4201 2.7 21.0 1.0
FE1 A:SF4201 2.8 21.1 1.0
FE4 A:SF4201 2.8 20.8 1.0
SG A:CYS166 3.1 30.6 1.0
CB A:CYS132 3.3 25.8 1.0
CA A:CYS132 3.9 25.5 1.0
S3 A:SF4201 3.9 21.6 1.0
NH1 A:ARG135 4.0 22.7 1.0
CB A:CYS166 4.1 24.3 1.0
CD A:PRO133 4.2 24.0 1.0
SG A:CYS134 4.4 31.6 1.0
N A:CYS166 4.6 22.4 1.0
SG A:CYS151 4.6 24.1 1.0
C A:CYS132 4.6 25.2 1.0
N A:PRO133 4.7 24.9 1.0
SG A:CYS149 4.8 23.2 1.0
SG A:CYS164 4.8 21.6 1.0
CA A:CYS166 5.0 23.2 1.0

Iron binding site 4 out of 8 in 7pwe

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Iron binding site 4 out of 8 in the Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:20.8
occ:1.00
 FE4 A:SF4201 0.0 20.8 1.0
S3 A:SF4201 2.3 21.6 1.0
SG A:CYS149 2.3 23.2 1.0
S2 A:SF4201 2.3 21.2 1.0
S1 A:SF4201 2.3 22.2 1.0
FE1 A:SF4201 2.7 21.1 1.0
FE2 A:SF4201 2.8 21.0 1.0
FE3 A:SF4201 2.8 21.4 1.0
CB A:CYS149 3.3 23.8 1.0
CA A:CYS149 3.9 23.3 1.0
S4 A:SF4201 3.9 22.0 1.0
CA A:PRO150 4.2 22.5 1.0
N A:CYS151 4.4 21.3 1.0
CE2 A:TYR169 4.6 26.2 1.0
CD2 A:LEU168 4.6 27.4 1.0
CD2 A:TYR169 4.7 25.2 1.0
C A:CYS149 4.8 24.0 1.0
SG A:CYS164 4.8 21.6 1.0
N A:PRO150 4.9 23.3 1.0
SG A:CYS151 4.9 24.1 1.0
C A:PRO150 4.9 22.1 1.0
N A:CYS149 4.9 21.7 1.0
SG A:CYS132 4.9 26.3 1.0
CB A:CYS132 5.0 25.8 1.0

Iron binding site 5 out of 8 in 7pwe

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Iron binding site 5 out of 8 in the Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe200

b:23.4
occ:1.00
 FE1 B:SF4200 0.0 23.4 1.0
SG B:CYS151 2.2 27.9 1.0
S4 B:SF4200 2.3 23.7 1.0
S2 B:SF4200 2.3 24.0 1.0
S3 B:SF4200 2.3 23.4 1.0
FE4 B:SF4200 2.7 22.0 1.0
FE3 B:SF4200 2.7 23.3 1.0
FE2 B:SF4200 2.7 23.3 1.0
CB B:CYS151 3.1 26.9 1.0
N B:CYS151 3.5 26.4 1.0
S1 B:SF4200 3.9 23.4 1.0
CA B:CYS151 3.9 26.4 1.0
NH1 B:ARG135 4.0 18.0 1.0
O B:HOH331 4.1 26.2 1.0
CB B:CYS164 4.6 25.1 1.0
C B:PRO150 4.6 27.6 1.0
CB B:ARG154 4.6 24.4 1.0
SG B:CYS132 4.6 23.9 1.0
SG B:CYS164 4.7 24.8 1.0
SG B:CYS149 4.7 27.5 1.0
CA B:PRO150 4.8 26.6 1.0
C B:CYS151 4.8 27.1 1.0
N B:ARG154 4.9 25.3 1.0
CB B:CYS132 5.0 26.5 1.0
O B:CYS151 5.0 27.3 1.0

Iron binding site 6 out of 8 in 7pwe

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Iron binding site 6 out of 8 in the Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe200

b:23.3
occ:1.00
 FE2 B:SF4200 0.0 23.3 1.0
S3 B:SF4200 2.3 23.4 1.0
SG B:CYS149 2.3 27.5 1.0
S1 B:SF4200 2.3 23.4 1.0
S4 B:SF4200 2.3 23.7 1.0
FE1 B:SF4200 2.7 23.4 1.0
FE4 B:SF4200 2.7 22.0 1.0
FE3 B:SF4200 2.8 23.3 1.0
CB B:CYS149 3.1 26.8 1.0
CA B:CYS149 3.8 26.2 1.0
S2 B:SF4200 3.9 24.0 1.0
CA B:PRO150 4.2 26.6 1.0
N B:CYS151 4.3 26.4 1.0
CD2 B:LEU168 4.5 25.7 1.0
CE2 B:TYR169 4.6 24.6 1.0
C B:CYS149 4.7 27.3 1.0
CD2 B:TYR169 4.8 24.3 1.0
N B:PRO150 4.8 27.1 1.0
SG B:CYS151 4.8 27.9 1.0
C B:PRO150 4.8 27.6 1.0
N B:CYS149 4.8 25.9 1.0
SG B:CYS132 4.8 23.9 1.0
CD B:PRO133 4.9 24.4 1.0
SG B:CYS164 4.9 24.8 1.0
CB B:CYS132 5.0 26.5 1.0

Iron binding site 7 out of 8 in 7pwe

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Iron binding site 7 out of 8 in the Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe200

b:23.3
occ:1.00
 FE3 B:SF4200 0.0 23.3 1.0
S2 B:SF4200 2.3 24.0 1.0
S1 B:SF4200 2.3 23.4 1.0
S4 B:SF4200 2.3 23.7 1.0
SG B:CYS132 2.4 23.9 1.0
FE1 B:SF4200 2.7 23.4 1.0
FE4 B:SF4200 2.7 22.0 1.0
FE2 B:SF4200 2.8 23.3 1.0
SG B:CYS166 3.1 28.6 1.0
CB B:CYS132 3.3 26.5 1.0
S3 B:SF4200 3.9 23.4 1.0
NH1 B:ARG135 3.9 18.0 1.0
CA B:CYS132 4.0 27.1 1.0
CD B:PRO133 4.1 24.4 1.0
CB B:CYS166 4.1 25.7 1.0
SG B:CYS134 4.5 29.9 1.0
N B:CYS166 4.6 24.3 1.0
SG B:CYS151 4.6 27.9 1.0
N B:PRO133 4.7 25.6 1.0
C B:CYS132 4.7 27.0 1.0
SG B:CYS149 4.8 27.5 1.0
SG B:CYS164 4.9 24.8 1.0

Iron binding site 8 out of 8 in 7pwe

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Iron binding site 8 out of 8 in the Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe200

b:22.0
occ:1.00
 FE4 B:SF4200 0.0 22.0 1.0
S2 B:SF4200 2.3 24.0 1.0
S1 B:SF4200 2.3 23.4 1.0
S3 B:SF4200 2.3 23.4 1.0
SG B:CYS164 2.3 24.8 1.0
FE1 B:SF4200 2.7 23.4 1.0
FE2 B:SF4200 2.7 23.3 1.0
FE3 B:SF4200 2.7 23.3 1.0
CB B:CYS164 3.2 25.1 1.0
S4 B:SF4200 3.9 23.7 1.0
N B:CYS166 4.0 24.3 1.0
CB B:CYS166 4.2 25.7 1.0
SG B:CYS166 4.3 28.6 1.0
N B:TYR165 4.3 25.4 1.0
CB B:LEU168 4.3 23.1 1.0
CA B:CYS164 4.4 25.6 1.0
C B:CYS164 4.6 26.1 1.0
CD2 B:TYR169 4.6 24.3 1.0
CA B:CYS166 4.7 24.0 1.0
O B:HOH331 4.7 26.2 1.0
SG B:CYS151 4.7 27.9 1.0
N B:LEU168 4.8 24.0 1.0
SG B:CYS149 4.8 27.5 1.0

Reference:

F.Zannini, S.Mathiot, J.Couturier, C.Didierjean, N.Rouhier. Crystal Structure of the Glutaredoxin/Ferredoxin Disulfide Reductase Fusion Protein From Desulfotalea Psychrophila LSV54 Inorganics 2022.
DOI: 10.3390/INORGANICS10020024
Page generated: Thu Aug 8 17:47:43 2024

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