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Iron in PDB 6fd1: 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A

Protein crystallography data

The structure of 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A, PDB code: 6fd1 was solved by C.D.Stout, E.A.Stura, D.E.Mcree, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 100.00 / 1.35
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 54.840, 54.840, 92.640, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 21.3

Iron Binding Sites:

The binding sites of Iron atom in the 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A (pdb code 6fd1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A, PDB code: 6fd1:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in 6fd1

Go back to Iron Binding Sites List in 6fd1
Iron binding site 1 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe107

b:19.1
occ:1.00
FE1 A:SF4107 0.0 19.1 1.0
S3 A:SF4107 2.3 20.5 1.0
S2 A:SF4107 2.3 20.1 1.0
SG A:CYS39 2.3 20.4 1.0
S4 A:SF4107 2.3 20.4 1.0
FE4 A:SF4107 2.7 19.5 1.0
FE2 A:SF4107 2.8 19.3 1.0
FE3 A:SF4107 2.8 18.9 1.0
HA A:CYS39 3.3 25.4 1.0
H A:ASP41 3.3 26.5 1.0
CB A:CYS39 3.3 20.1 1.0
H A:ILE40 3.4 24.1 1.0
HB2 A:CYS39 3.4 24.1 1.0
HB2 A:PHE2 3.7 22.4 1.0
CA A:CYS39 3.8 21.1 1.0
SG A:CYS24 3.9 21.7 1.0
S1 A:SF4107 3.9 20.3 1.0
H A:CYS42 4.0 25.2 1.0
HG23 A:ILE34 4.0 29.6 1.0
N A:ILE40 4.0 20.1 1.0
N A:ASP41 4.1 22.1 1.0
HA A:ASP41 4.1 25.6 1.0
H A:PHE2 4.2 23.4 1.0
HB3 A:CYS39 4.2 24.1 1.0
HG22 A:ILE34 4.2 29.6 1.0
C A:CYS39 4.3 21.6 1.0
HD12 A:ILE34 4.4 29.2 1.0
HD1 A:PHE2 4.4 25.8 1.0
CG2 A:ILE34 4.6 19.7 1.0
CB A:PHE2 4.6 18.6 1.0
CA A:ASP41 4.6 21.4 1.0
H A:ALA43 4.6 23.6 1.0
N A:CYS42 4.7 21.0 1.0
SG A:CYS45 4.8 20.2 1.0
HG23 A:VAL22 4.9 31.9 1.0
CD1 A:PHE2 4.9 21.5 1.0
SG A:CYS20 4.9 20.9 1.0
HG13 A:ILE40 4.9 25.8 1.0
N A:PHE2 4.9 19.5 1.0
SG A:CYS42 4.9 21.8 1.0
C A:ILE40 5.0 22.9 1.0

Iron binding site 2 out of 7 in 6fd1

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Iron binding site 2 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe107

b:19.3
occ:1.00
FE2 A:SF4107 0.0 19.3 1.0
SG A:CYS42 2.3 21.8 1.0
S1 A:SF4107 2.3 20.3 1.0
S4 A:SF4107 2.3 20.4 1.0
S3 A:SF4107 2.3 20.5 1.0
FE3 A:SF4107 2.7 18.9 1.0
FE4 A:SF4107 2.8 19.5 1.0
FE1 A:SF4107 2.8 19.1 1.0
H A:CYS42 2.9 25.2 1.0
H A:ALA43 3.3 23.6 1.0
HD2 A:PRO21 3.3 25.7 1.0
H A:LEU44 3.5 25.3 1.0
CB A:CYS42 3.5 21.8 1.0
N A:CYS42 3.6 21.0 1.0
HB3 A:CYS42 3.7 26.2 1.0
N A:ALA43 3.9 19.6 1.0
S2 A:SF4107 3.9 20.1 1.0
CA A:CYS42 3.9 21.4 1.0
H A:CYS45 4.1 24.2 1.0
HG13 A:ILE40 4.1 25.8 1.0
CD A:PRO21 4.2 21.4 1.0
HB2 A:LEU44 4.2 25.2 1.0
C A:CYS42 4.2 20.6 1.0
N A:LEU44 4.2 21.1 1.0
HD3 A:PRO21 4.3 25.7 1.0
HA A:CYS20 4.3 24.4 1.0
HB2 A:CYS42 4.3 26.2 1.0
H A:ASP41 4.3 26.5 1.0
H A:ILE40 4.3 24.1 1.0
C A:ASP41 4.6 22.3 1.0
HG2 A:PRO21 4.6 27.1 1.0
HG12 A:ILE40 4.6 25.8 1.0
N A:ASP41 4.6 22.1 1.0
SG A:CYS45 4.7 20.2 1.0
SG A:CYS20 4.7 20.9 1.0
HA A:ASP41 4.7 25.6 1.0
SG A:CYS39 4.7 20.4 1.0
HA A:ALA43 4.8 25.3 1.0
CA A:ALA43 4.8 21.1 1.0
CG A:PRO21 4.8 22.6 1.0
HG3 A:PRO21 4.8 27.1 1.0
CG1 A:ILE40 4.8 21.5 1.0
HG23 A:VAL22 4.9 31.9 1.0
HA A:CYS42 4.9 25.6 1.0
HB3 A:CYS45 4.9 25.3 1.0
N A:CYS45 4.9 20.1 1.0
CA A:ASP41 4.9 21.4 1.0
HG A:LEU44 5.0 23.9 1.0
C A:ALA43 5.0 21.5 1.0

Iron binding site 3 out of 7 in 6fd1

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Iron binding site 3 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe107

b:18.9
occ:1.00
FE3 A:SF4107 0.0 18.9 1.0
S1 A:SF4107 2.3 20.3 1.0
SG A:CYS45 2.3 20.2 1.0
S4 A:SF4107 2.3 20.4 1.0
S2 A:SF4107 2.3 20.1 1.0
FE2 A:SF4107 2.7 19.3 1.0
FE1 A:SF4107 2.8 19.1 1.0
FE4 A:SF4107 2.8 19.5 1.0
HB3 A:CYS45 3.0 25.3 1.0
CB A:CYS45 3.3 21.1 1.0
H A:CYS45 3.3 24.2 1.0
HB2 A:PHE2 3.8 22.4 1.0
HZ A:PHE25 3.8 24.5 1.0
HE1 A:PHE25 3.9 25.1 1.0
S3 A:SF4107 3.9 20.5 1.0
HB2 A:CYS45 3.9 25.3 1.0
N A:CYS45 4.0 20.1 1.0
HD12 A:ILE34 4.1 29.2 1.0
CA A:CYS45 4.2 21.3 1.0
H A:ALA43 4.3 23.6 1.0
H A:LEU44 4.3 25.3 1.0
HD13 A:ILE34 4.4 29.2 1.0
CZ A:PHE25 4.4 20.4 1.0
CE1 A:PHE25 4.4 20.9 1.0
CB A:PHE2 4.5 18.6 1.0
HB3 A:PHE2 4.5 22.4 1.0
SG A:CYS42 4.6 21.8 1.0
CD1 A:ILE34 4.7 19.5 1.0
HA A:ALA43 4.7 25.3 1.0
N A:LEU44 4.7 21.1 1.0
SG A:CYS39 4.7 20.4 1.0
HB2 A:CYS20 4.8 24.9 1.0
CG A:PHE2 4.8 19.1 1.0
HG12 A:ILE34 4.8 22.4 1.0
SG A:CYS20 4.8 20.9 1.0
HG23 A:ILE54 4.8 34.6 1.0
HA A:CYS20 4.9 24.4 1.0
HA A:CYS45 4.9 25.6 1.0
H A:GLU46 4.9 24.9 1.0
N A:ALA43 4.9 19.6 1.0
HD12 A:ILE54 5.0 29.4 1.0

Iron binding site 4 out of 7 in 6fd1

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Iron binding site 4 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe107

b:19.5
occ:1.00
FE4 A:SF4107 0.0 19.5 1.0
S2 A:SF4107 2.3 20.1 1.0
SG A:CYS20 2.3 20.9 1.0
S3 A:SF4107 2.3 20.5 1.0
S1 A:SF4107 2.4 20.3 1.0
FE1 A:SF4107 2.7 19.1 1.0
FE2 A:SF4107 2.8 19.3 1.0
FE3 A:SF4107 2.8 18.9 1.0
HD2 A:PRO21 3.4 25.7 1.0
HB2 A:CYS20 3.4 24.9 1.0
CB A:CYS20 3.4 20.8 1.0
HA A:CYS20 3.4 24.4 1.0
SG A:CYS24 3.5 21.7 1.0
HE1 A:PHE25 3.5 25.1 1.0
HG23 A:VAL22 3.8 31.9 1.0
CA A:CYS20 3.9 20.4 1.0
S4 A:SF4107 3.9 20.4 1.0
CE1 A:PHE25 4.1 20.9 1.0
HB3 A:CYS20 4.2 24.9 1.0
HG21 A:VAL22 4.3 31.9 1.0
CD A:PRO21 4.3 21.4 1.0
H A:CYS24 4.3 24.0 1.0
H A:VAL22 4.4 25.3 1.0
HA A:CYS39 4.4 25.4 1.0
CG2 A:VAL22 4.5 21.3 1.0
HB3 A:CYS45 4.5 25.3 1.0
HD1 A:PHE25 4.6 26.0 1.0
SG A:CYS42 4.6 21.8 1.0
C A:CYS20 4.6 20.9 1.0
HD3 A:PRO21 4.7 25.7 1.0
N A:PRO21 4.7 21.0 1.0
CD1 A:PHE25 4.7 21.7 1.0
H A:ILE40 4.8 24.1 1.0
HG22 A:VAL22 4.8 31.9 1.0
HZ A:PHE25 4.8 24.5 1.0
SG A:CYS45 4.8 20.2 1.0
CZ A:PHE25 4.9 20.4 1.0
SG A:CYS39 4.9 20.4 1.0

Iron binding site 5 out of 7 in 6fd1

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Iron binding site 5 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe108

b:19.1
occ:1.00
FE1 A:F3S108 0.0 19.1 1.0
S2 A:F3S108 2.3 22.0 1.0
S1 A:F3S108 2.3 20.1 1.0
SG A:CYS16 2.3 20.6 1.0
S3 A:F3S108 2.3 19.9 1.0
FE4 A:F3S108 2.6 19.1 1.0
FE3 A:F3S108 2.7 18.5 1.0
HB3 A:CYS16 3.1 27.1 1.0
HA A:THR14 3.2 27.0 1.0
H A:CYS16 3.3 27.9 1.0
H A:THR14 3.3 26.4 1.0
CB A:CYS16 3.3 22.6 1.0
HD23 A:LEU32 3.6 30.8 1.0
HD13 A:ILE54 3.8 29.4 1.0
S4 A:F3S108 3.8 20.6 1.0
N A:THR14 3.9 22.0 1.0
HB2 A:CYS16 4.0 27.1 1.0
CA A:THR14 4.0 22.5 1.0
N A:CYS16 4.0 23.2 1.0
HB2 A:LEU32 4.2 25.1 1.0
CA A:CYS16 4.3 22.2 1.0
H A:ASP15 4.3 28.2 1.0
C A:THR14 4.4 22.4 1.0
CD2 A:LEU32 4.5 20.5 1.0
HB2 A:CYS49 4.5 27.2 1.0
HD21 A:LEU32 4.5 30.8 1.0
N A:ASP15 4.5 23.5 1.0
HB2 A:TYR13 4.5 27.2 1.0
H A:TYR13 4.5 25.0 1.0
HE2 A:PHE25 4.6 22.6 1.0
SG A:CYS49 4.7 20.6 1.0
HA A:CYS49 4.7 25.4 1.0
HA A:LYS12 4.7 26.0 1.0
CD1 A:ILE54 4.7 19.6 1.0
H A:VAL17 4.8 26.4 1.0
SG A:CYS8 4.8 19.7 1.0
HD11 A:ILE54 4.9 29.4 1.0
N A:TYR13 4.9 20.9 1.0
HB3 A:LEU32 4.9 25.1 1.0
HG12 A:VAL17 4.9 35.3 1.0
HG21 A:THR14 5.0 36.7 1.0
CB A:LEU32 5.0 20.9 1.0
HA A:CYS16 5.0 26.7 1.0
HG13 A:ILE54 5.0 24.1 1.0

Iron binding site 6 out of 7 in 6fd1

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Iron binding site 6 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe108

b:18.5
occ:1.00
FE3 A:F3S108 0.0 18.5 1.0
S4 A:F3S108 2.2 20.6 1.0
S1 A:F3S108 2.2 20.1 1.0
S3 A:F3S108 2.3 19.9 1.0
SG A:CYS8 2.3 19.7 1.0
FE4 A:F3S108 2.7 19.1 1.0
FE1 A:F3S108 2.7 19.1 1.0
HB2 A:CYS8 2.9 24.6 1.0
HA A:LYS12 3.0 26.0 1.0
CB A:CYS8 3.2 20.5 1.0
HA A:CYS8 3.6 23.3 1.0
H A:TYR13 3.7 25.0 1.0
HB2 A:LEU32 3.8 25.1 1.0
HG12 A:VAL4 3.9 28.8 1.0
H A:LYS12 3.9 25.6 1.0
CA A:LYS12 3.9 21.7 1.0
HB3 A:CYS8 3.9 24.6 1.0
CA A:CYS8 4.0 19.4 1.0
S2 A:F3S108 4.0 22.0 1.0
H A:THR14 4.0 26.4 1.0
HG11 A:VAL4 4.1 28.8 1.0
N A:TYR13 4.3 20.9 1.0
N A:LYS12 4.3 21.4 1.0
H A:LEU32 4.3 22.0 1.0
CG1 A:VAL4 4.5 19.2 1.0
HB2 A:ALA53 4.5 29.9 1.0
C A:LYS12 4.5 21.9 1.0
HD23 A:LEU32 4.6 30.8 1.0
O A:CYS8 4.6 19.7 1.0
HG3 A:LYS12 4.7 25.0 1.0
SG A:CYS49 4.7 20.6 1.0
CB A:LEU32 4.7 20.9 1.0
C A:CYS8 4.7 19.1 1.0
HD2 A:TYR13 4.8 27.4 1.0
HB2 A:TYR13 4.8 27.2 1.0
SG A:CYS16 4.8 20.6 1.0
HG13 A:VAL4 4.9 28.8 1.0
HD12 A:LEU32 4.9 37.8 1.0
N A:THR14 4.9 22.0 1.0
HB2 A:ALA51 4.9 34.2 1.0
HA A:THR14 4.9 27.0 1.0
N A:LEU32 5.0 18.3 1.0
CB A:LYS12 5.0 20.7 1.0
HB3 A:LEU32 5.0 25.1 1.0

Iron binding site 7 out of 7 in 6fd1

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Iron binding site 7 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of 7-Fe Ferredoxin From Azotobacter Vinelandii Low Temperature, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe108

b:19.1
occ:1.00
FE4 A:F3S108 0.0 19.1 1.0
S4 A:F3S108 2.2 20.6 1.0
S2 A:F3S108 2.3 22.0 1.0
SG A:CYS49 2.3 20.6 1.0
S3 A:F3S108 2.3 19.9 1.0
FE1 A:F3S108 2.6 19.1 1.0
FE3 A:F3S108 2.7 18.5 1.0
HB2 A:CYS49 3.3 27.2 1.0
CB A:CYS49 3.3 22.6 1.0
HA A:CYS49 3.5 25.4 1.0
HB2 A:ALA51 3.7 34.2 1.0
HD2 A:PRO50 3.7 28.2 1.0
HD2 A:TYR13 3.7 27.4 1.0
HB2 A:TYR13 3.8 27.2 1.0
S1 A:F3S108 3.8 20.1 1.0
H A:ALA51 3.9 26.1 1.0
CA A:CYS49 3.9 21.2 1.0
HB2 A:ALA53 3.9 29.9 1.0
H A:TYR13 4.1 25.0 1.0
HB2 A:CYS8 4.2 24.6 1.0
HB3 A:CYS49 4.2 27.2 1.0
HB3 A:CYS16 4.2 27.1 1.0
HG13 A:ILE54 4.3 24.1 1.0
H A:THR14 4.3 26.4 1.0
HD13 A:ILE54 4.4 29.4 1.0
CD A:PRO50 4.4 23.5 1.0
H A:ALA53 4.5 24.0 1.0
C A:CYS49 4.5 21.0 1.0
CB A:ALA51 4.5 22.8 1.0
HB1 A:ALA51 4.6 34.2 1.0
HA A:CYS8 4.6 23.3 1.0
HD3 A:PRO50 4.6 28.2 1.0
CD2 A:TYR13 4.6 22.8 1.0
N A:PRO50 4.6 22.0 1.0
N A:ALA51 4.7 21.8 1.0
H A:CYS16 4.7 27.9 1.0
SG A:CYS16 4.7 20.6 1.0
SG A:CYS8 4.7 19.7 1.0
CB A:TYR13 4.7 22.6 1.0
N A:TYR13 4.8 20.9 1.0
HB1 A:ALA53 4.8 29.9 1.0
CB A:ALA53 4.8 19.9 1.0
CB A:CYS8 4.8 20.5 1.0
HD11 A:ILE54 4.9 29.4 1.0
HA A:LYS12 4.9 26.0 1.0
CB A:CYS16 5.0 22.6 1.0
CD1 A:ILE54 5.0 19.6 1.0
HG11 A:VAL4 5.0 28.8 1.0

Reference:

C.D.Stout, E.A.Stura, D.E.Mcree. Structure of Azotobacter Vinelandii 7FE Ferredoxin at 1.35 A Resolution and Determination of the [Fe-S] Bonds with 0.01 A Accuracy. J.Mol.Biol. V. 278 629 1998.
ISSN: ISSN 0022-2836
PubMed: 9600844
DOI: 10.1006/JMBI.1998.1732
Page generated: Tue Aug 6 18:09:07 2024

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