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Iron in PDB 7fd1: 7-Fe Ferredoxin From Azotobacter Vinelandii at pH 8.5, 100 K, 1.35 A

Protein crystallography data

The structure of 7-Fe Ferredoxin From Azotobacter Vinelandii at pH 8.5, 100 K, 1.35 A, PDB code: 7fd1 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 / 1.30
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 54.460, 54.460, 92.650, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / n/a

Iron Binding Sites:

The binding sites of Iron atom in the 7-Fe Ferredoxin From Azotobacter Vinelandii at pH 8.5, 100 K, 1.35 A (pdb code 7fd1). 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 at pH 8.5, 100 K, 1.35 A, PDB code: 7fd1:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in 7fd1

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Iron binding site 1 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii at pH 8.5, 100 K, 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 at pH 8.5, 100 K, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe107

b:10.6
occ:1.00
FE1 A:SF4107 0.0 10.6 1.0
S3 A:SF4107 2.2 10.2 1.0
S2 A:SF4107 2.3 9.9 1.0
S4 A:SF4107 2.3 11.0 1.0
SG A:CYS20 2.3 10.7 1.0
FE3 A:SF4107 2.7 9.9 1.0
FE2 A:SF4107 2.7 10.1 1.0
FE4 A:SF4107 2.7 10.0 1.0
HB2 A:CYS20 3.3 14.5 1.0
CB A:CYS20 3.3 12.1 1.0
HD2 A:PRO21 3.4 13.9 1.0
HA A:CYS20 3.4 11.6 1.0
SG A:CYS24 3.5 12.0 1.0
HE2 A:PHE25 3.5 11.8 1.0
HG23 A:VAL22 3.9 21.2 1.0
S1 A:SF4107 3.9 9.9 1.0
CA A:CYS20 3.9 9.6 1.0
CE2 A:PHE25 4.1 9.8 1.0
HB3 A:CYS20 4.2 14.5 1.0
HG21 A:VAL22 4.3 21.2 1.0
CD A:PRO21 4.3 11.6 1.0
H A:CYS24 4.3 12.4 1.0
H A:VAL22 4.3 14.6 1.0
HA A:CYS39 4.4 12.2 1.0
HB3 A:CYS45 4.5 13.4 1.0
CG2 A:VAL22 4.5 14.1 1.0
SG A:CYS42 4.6 10.8 1.0
C A:CYS20 4.6 10.7 1.0
HD2 A:PHE25 4.6 11.4 1.0
HD3 A:PRO21 4.7 13.9 1.0
N A:PRO21 4.7 10.7 1.0
H A:ILE40 4.8 11.6 1.0
CD2 A:PHE25 4.8 9.5 1.0
SG A:CYS45 4.8 10.3 1.0
HB2 A:CYS39 4.8 12.5 1.0
HG22 A:VAL22 4.8 21.2 1.0
CZ A:PHE25 4.9 8.6 1.0
HZ A:PHE25 4.9 10.3 1.0
SG A:CYS39 4.9 10.3 1.0
HG2 A:PRO21 5.0 16.5 1.0

Iron binding site 2 out of 7 in 7fd1

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Iron binding site 2 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii at pH 8.5, 100 K, 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 at pH 8.5, 100 K, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe107

b:10.1
occ:1.00
FE2 A:SF4107 0.0 10.1 1.0
S3 A:SF4107 2.3 10.2 1.0
S4 A:SF4107 2.3 11.0 1.0
SG A:CYS39 2.3 10.3 1.0
S1 A:SF4107 2.3 9.9 1.0
FE1 A:SF4107 2.7 10.6 1.0
FE4 A:SF4107 2.7 10.0 1.0
FE3 A:SF4107 2.7 9.9 1.0
HB2 A:CYS39 3.2 12.5 1.0
CB A:CYS39 3.2 10.4 1.0
HA A:CYS39 3.3 12.2 1.0
H A:ASP41 3.4 12.8 1.0
H A:ILE40 3.5 11.6 1.0
HB2 A:PHE2 3.7 11.5 1.0
CA A:CYS39 3.7 10.2 1.0
S2 A:SF4107 3.9 9.9 1.0
SG A:CYS24 3.9 12.0 1.0
H A:CYS42 3.9 15.4 1.0
HG23 A:ILE34 4.0 17.8 1.0
N A:ILE40 4.0 9.7 1.0
HB3 A:CYS39 4.1 12.5 1.0
N A:ASP41 4.1 10.7 1.0
H A:PHE2 4.1 14.8 1.0
HA A:ASP41 4.1 12.8 1.0
HG22 A:ILE34 4.1 17.8 1.0
HD12 A:ILE34 4.3 12.7 1.0
C A:CYS39 4.3 13.5 1.0
HD1 A:PHE2 4.4 15.1 1.0
H A:ALA43 4.5 12.8 1.0
CG2 A:ILE34 4.5 11.8 1.0
CA A:ASP41 4.6 10.7 1.0
CB A:PHE2 4.6 9.6 1.0
N A:CYS42 4.6 12.8 1.0
SG A:CYS45 4.8 10.3 1.0
SG A:CYS20 4.8 10.7 1.0
N A:PHE2 4.9 12.3 1.0
CD1 A:PHE2 4.9 12.6 1.0
SG A:CYS42 4.9 10.8 1.0
HG13 A:ILE40 4.9 12.3 1.0
HG23 A:VAL22 4.9 21.2 1.0

Iron binding site 3 out of 7 in 7fd1

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Iron binding site 3 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii at pH 8.5, 100 K, 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 at pH 8.5, 100 K, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe107

b:9.9
occ:1.00
FE3 A:SF4107 0.0 9.9 1.0
SG A:CYS42 2.2 10.8 1.0
S2 A:SF4107 2.2 9.9 1.0
S4 A:SF4107 2.3 11.0 1.0
S1 A:SF4107 2.3 9.9 1.0
FE1 A:SF4107 2.7 10.6 1.0
FE4 A:SF4107 2.7 10.0 1.0
FE2 A:SF4107 2.7 10.1 1.0
H A:CYS42 2.9 15.4 1.0
H A:ALA43 3.2 12.8 1.0
HD2 A:PRO21 3.3 13.9 1.0
H A:LEU44 3.4 11.4 1.0
CB A:CYS42 3.5 12.3 1.0
N A:CYS42 3.5 12.8 1.0
HB3 A:CYS42 3.7 14.8 1.0
N A:ALA43 3.8 10.7 1.0
S3 A:SF4107 3.8 10.2 1.0
CA A:CYS42 3.9 10.9 1.0
HB2 A:LEU44 4.1 17.6 1.0
H A:CYS45 4.1 11.7 1.0
HG13 A:ILE40 4.1 12.3 1.0
CD A:PRO21 4.2 11.6 1.0
N A:LEU44 4.2 9.5 1.0
C A:CYS42 4.2 12.6 1.0
HA A:CYS20 4.2 11.6 1.0
HD3 A:PRO21 4.3 13.9 1.0
HB2 A:CYS42 4.3 14.8 1.0
H A:ILE40 4.3 11.6 1.0
H A:ASP41 4.4 12.8 1.0
HG2 A:PRO21 4.6 16.5 1.0
C A:ASP41 4.6 12.2 1.0
SG A:CYS20 4.6 10.7 1.0
HA A:ALA43 4.7 14.1 1.0
HG12 A:ILE40 4.7 12.3 1.0
SG A:CYS45 4.7 10.3 1.0
N A:ASP41 4.7 10.7 1.0
CA A:ALA43 4.7 11.7 1.0
SG A:CYS39 4.7 10.3 1.0
HA A:ASP41 4.7 12.8 1.0
CG A:PRO21 4.8 13.7 1.0
HG3 A:PRO21 4.8 16.5 1.0
HG A:LEU44 4.8 16.6 1.0
HA A:CYS42 4.9 13.1 1.0
CG1 A:ILE40 4.9 10.2 1.0
HG23 A:VAL22 4.9 21.2 1.0
C A:ALA43 4.9 10.9 1.0
CB A:LEU44 4.9 14.6 1.0
N A:CYS45 4.9 9.7 1.0
HB3 A:CYS45 4.9 13.4 1.0
CA A:ASP41 4.9 10.7 1.0

Iron binding site 4 out of 7 in 7fd1

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Iron binding site 4 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii at pH 8.5, 100 K, 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 at pH 8.5, 100 K, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe107

b:10.0
occ:1.00
FE4 A:SF4107 0.0 10.0 1.0
S2 A:SF4107 2.2 9.9 1.0
SG A:CYS45 2.3 10.3 1.0
S3 A:SF4107 2.3 10.2 1.0
S1 A:SF4107 2.3 9.9 1.0
FE3 A:SF4107 2.7 9.9 1.0
FE1 A:SF4107 2.7 10.6 1.0
FE2 A:SF4107 2.7 10.1 1.0
HB3 A:CYS45 3.0 13.4 1.0
H A:CYS45 3.2 11.7 1.0
CB A:CYS45 3.3 11.2 1.0
HB2 A:PHE2 3.8 11.5 1.0
HE2 A:PHE25 3.8 11.8 1.0
S4 A:SF4107 3.9 11.0 1.0
HZ A:PHE25 3.9 10.3 1.0
HB2 A:CYS45 3.9 13.4 1.0
N A:CYS45 4.0 9.7 1.0
HD12 A:ILE34 4.0 12.7 1.0
CA A:CYS45 4.2 11.3 1.0
H A:ALA43 4.3 12.8 1.0
H A:LEU44 4.3 11.4 1.0
HD13 A:ILE34 4.4 12.7 1.0
CE2 A:PHE25 4.4 9.8 1.0
CZ A:PHE25 4.4 8.6 1.0
CB A:PHE2 4.6 9.6 1.0
SG A:CYS42 4.6 10.8 1.0
HA A:ALA43 4.6 14.1 1.0
HB2 A:CYS20 4.6 14.5 1.0
CD1 A:ILE34 4.6 8.5 1.0
HB3 A:PHE2 4.6 11.5 1.0
N A:LEU44 4.7 9.5 1.0
SG A:CYS39 4.7 10.3 1.0
SG A:CYS20 4.8 10.7 1.0
CG A:PHE2 4.8 9.1 1.0
HG23 A:ILE54 4.8 20.8 1.0
HA A:CYS20 4.9 11.6 1.0
HD12 A:ILE54 4.9 15.4 1.0
N A:ALA43 4.9 10.7 1.0
HA A:CYS45 4.9 13.5 1.0
HG12 A:ILE34 4.9 10.1 1.0
H A:GLU46 5.0 13.3 1.0

Iron binding site 5 out of 7 in 7fd1

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Iron binding site 5 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii at pH 8.5, 100 K, 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 at pH 8.5, 100 K, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe108

b:10.9
occ:1.00
FE1 A:F3S108 0.0 10.9 1.0
S2 A:F3S108 2.2 11.1 1.0
S1 A:F3S108 2.2 11.1 1.0
SG A:CYS49 2.3 11.0 1.0
S3 A:F3S108 2.3 9.2 1.0
FE3 A:F3S108 2.6 10.7 1.0
FE4 A:F3S108 2.7 10.0 1.0
HB2 A:CYS49 3.2 14.7 1.0
CB A:CYS49 3.3 12.2 1.0
HA A:CYS49 3.5 12.6 1.0
HD2 A:PRO50 3.6 16.7 1.0
HB2 A:ALA51 3.7 18.7 1.0
HB2 A:TYR13 3.8 14.9 1.0
HD2 A:TYR13 3.8 13.9 1.0
S4 A:F3S108 3.8 10.5 1.0
H A:ALA51 3.9 16.4 1.0
CA A:CYS49 3.9 10.5 1.0
HB2 A:ALA53 4.1 17.0 1.0
HB3 A:CYS49 4.1 14.7 1.0
HB2 A:CYS8 4.2 12.8 1.0
H A:TYR13 4.2 13.7 1.0
HB3 A:CYS16 4.2 12.6 1.0
HG13 A:ILE54 4.2 13.3 1.0
H A:THR14 4.3 14.6 1.0
CD A:PRO50 4.4 13.9 1.0
H A:ALA53 4.4 12.6 1.0
HD13 A:ILE54 4.5 15.4 1.0
C A:CYS49 4.5 11.7 1.0
HD3 A:PRO50 4.5 16.7 1.0
HA A:CYS8 4.5 11.8 1.0
CB A:ALA51 4.5 12.4 1.0
HB1 A:ALA51 4.6 18.7 1.0
SG A:CYS16 4.7 10.7 1.0
N A:PRO50 4.7 14.3 1.0
CD2 A:TYR13 4.7 11.6 1.0
SG A:CYS8 4.7 9.5 1.0
N A:ALA51 4.7 13.7 1.0
CB A:TYR13 4.7 12.4 1.0
H A:CYS16 4.8 16.9 1.0
CB A:CYS8 4.8 10.7 1.0
HD11 A:ILE54 4.8 15.4 1.0
HG12 A:VAL4 4.8 12.2 1.0
N A:TYR13 4.9 11.4 1.0
HB1 A:ALA53 4.9 17.0 1.0
CB A:ALA53 4.9 11.3 1.0
CB A:CYS16 4.9 10.5 1.0
HA A:LYS12 4.9 13.0 1.0
CD1 A:ILE54 5.0 10.2 1.0

Iron binding site 6 out of 7 in 7fd1

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Iron binding site 6 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii at pH 8.5, 100 K, 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 at pH 8.5, 100 K, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe108

b:10.7
occ:1.00
FE3 A:F3S108 0.0 10.7 1.0
S4 A:F3S108 2.2 10.5 1.0
S1 A:F3S108 2.2 11.1 1.0
SG A:CYS16 2.3 10.7 1.0
S3 A:F3S108 2.3 9.2 1.0
FE1 A:F3S108 2.6 10.9 1.0
FE4 A:F3S108 2.7 10.0 1.0
HB3 A:CYS16 3.0 12.6 1.0
HA A:THR14 3.3 15.3 1.0
CB A:CYS16 3.3 10.5 1.0
H A:CYS16 3.3 16.9 1.0
H A:THR14 3.3 14.6 1.0
HD23 A:LEU32 3.5 16.3 1.0
S2 A:F3S108 3.8 11.1 1.0
HD13 A:ILE54 3.9 15.4 1.0
HB2 A:CYS16 3.9 12.6 1.0
N A:THR14 3.9 12.2 1.0
CA A:THR14 4.0 12.7 1.0
N A:CYS16 4.0 14.1 1.0
HB2 A:LEU32 4.1 14.0 1.0
H A:ASP15 4.3 17.4 1.0
CA A:CYS16 4.3 12.3 1.0
CD2 A:LEU32 4.4 10.9 1.0
HD21 A:LEU32 4.4 16.3 1.0
HB2 A:CYS49 4.4 14.7 1.0
C A:THR14 4.4 12.9 1.0
HB2 A:TYR13 4.5 14.9 1.0
N A:ASP15 4.5 14.5 1.0
H A:TYR13 4.6 13.7 1.0
SG A:CYS49 4.7 11.0 1.0
HA A:LYS12 4.7 13.0 1.0
CD1 A:ILE54 4.7 10.2 1.0
HB3 A:LEU32 4.7 14.0 1.0
SG A:CYS8 4.8 9.5 1.0
HA A:CYS49 4.8 12.6 1.0
H A:VAL17 4.8 12.8 1.0
HD11 A:ILE54 4.8 15.4 1.0
HE1 A:PHE25 4.8 10.8 1.0
CB A:LEU32 4.8 11.7 1.0
N A:TYR13 4.9 11.4 1.0
HG13 A:ILE54 4.9 13.3 1.0
HA A:CYS16 4.9 14.8 1.0
HG21 A:THR14 5.0 18.4 1.0
CB A:CYS49 5.0 12.2 1.0
HD22 A:LEU32 5.0 16.3 1.0
HG12 A:VAL17 5.0 24.5 1.0

Iron binding site 7 out of 7 in 7fd1

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Iron binding site 7 out of 7 in the 7-Fe Ferredoxin From Azotobacter Vinelandii at pH 8.5, 100 K, 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 at pH 8.5, 100 K, 1.35 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe108

b:10.0
occ:1.00
FE4 A:F3S108 0.0 10.0 1.0
S4 A:F3S108 2.2 10.5 1.0
SG A:CYS8 2.2 9.5 1.0
S2 A:F3S108 2.2 11.1 1.0
S3 A:F3S108 2.3 9.2 1.0
FE1 A:F3S108 2.7 10.9 1.0
FE3 A:F3S108 2.7 10.7 1.0
HB2 A:CYS8 2.9 12.8 1.0
HA A:LYS12 3.0 13.0 1.0
CB A:CYS8 3.1 10.7 1.0
HA A:CYS8 3.6 11.8 1.0
HB2 A:LEU32 3.6 14.0 1.0
H A:TYR13 3.7 13.7 1.0
HG13 A:VAL4 3.8 12.2 1.0
S1 A:F3S108 3.9 11.1 1.0
CA A:LYS12 3.9 10.9 1.0
HB3 A:CYS8 3.9 12.8 1.0
CA A:CYS8 3.9 9.8 1.0
H A:LYS12 4.0 14.2 1.0
HG12 A:VAL4 4.0 12.2 1.0
H A:THR14 4.1 14.6 1.0
H A:LEU32 4.3 11.4 1.0
N A:TYR13 4.3 11.4 1.0
N A:LYS12 4.3 11.9 1.0
CG1 A:VAL4 4.4 8.1 1.0
C A:LYS12 4.5 12.2 1.0
O A:CYS8 4.5 10.4 1.0
HD23 A:LEU32 4.5 16.3 1.0
HB2 A:ALA53 4.6 17.0 1.0
CB A:LEU32 4.6 11.7 1.0
HG3 A:LYS12 4.6 15.0 1.0
SG A:CYS49 4.7 11.0 1.0
C A:CYS8 4.7 9.6 1.0
HB2 A:TYR13 4.7 14.9 1.0
HG11 A:VAL4 4.8 12.2 1.0
SG A:CYS16 4.8 10.7 1.0
HB3 A:LEU32 4.8 14.0 1.0
HD12 A:LEU32 4.8 28.5 1.0
HD2 A:TYR13 4.8 13.9 1.0
HA A:THR14 4.9 15.3 1.0
N A:THR14 4.9 12.2 1.0
N A:LEU32 4.9 9.5 1.0
HB2 A:ALA51 4.9 18.7 1.0
CB A:LYS12 5.0 11.0 1.0

Reference:

C.G.Schipke, D.B.Goodin, D.E.Mcree, C.D.Stout. Oxidized and Reduced Azotobacter Vinelandii Ferredoxin I at 1.4 A Resolution: Conformational Change of Surface Residues Without Significant Change in the [3FE-4S]+/0 Cluster. Biochemistry V. 38 8228 1999.
ISSN: ISSN 0006-2960
PubMed: 10387068
DOI: 10.1021/BI983008I
Page generated: Thu Aug 8 05:40:17 2024

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