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Iron in PDB 1bd6: 7-Fe Ferredoxin From Bacillus Schlegelii, uc(Nmr), Minimized Average Structure

Iron Binding Sites:

The binding sites of Iron atom in the 7-Fe Ferredoxin From Bacillus Schlegelii, uc(Nmr), Minimized Average Structure (pdb code 1bd6). 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 Bacillus Schlegelii, uc(Nmr), Minimized Average Structure, PDB code: 1bd6:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in 1bd6

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Iron binding site 1 out of 7 in the 7-Fe Ferredoxin From Bacillus Schlegelii, uc(Nmr), Minimized Average Structure


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 Bacillus Schlegelii, uc(Nmr), Minimized Average Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe78

b:0.0
occ:1.00
FE1 A:F3S78 0.0 0.0 1.0
SG A:CYS8 2.1 0.0 1.0
S1 A:F3S78 2.2 0.0 1.0
S3 A:F3S78 2.2 0.0 1.0
S2 A:F3S78 2.3 0.0 1.0
FE3 A:F3S78 2.6 0.0 1.0
FE4 A:F3S78 2.6 0.0 1.0
HB2 A:CYS8 2.8 0.0 1.0
CB A:CYS8 3.0 0.0 1.0
HA A:CYS8 3.8 0.0 1.0
HD13 A:ILE4 3.8 0.0 1.0
HB3 A:CYS8 3.8 0.0 1.0
S4 A:F3S78 3.8 0.0 1.0
CA A:CYS8 4.1 0.0 1.0
HB1 A:ALA14 4.1 0.0 1.0
HD1 A:TYR32 4.1 0.0 1.0
HB2 A:ALA53 4.3 0.0 1.0
HD12 A:ILE4 4.4 0.0 1.0
SG A:CYS16 4.5 0.0 1.0
HB A:THR11 4.6 0.0 1.0
CD1 A:ILE4 4.6 0.0 1.0
SG A:CYS49 4.6 0.0 1.0
HA A:ASP13 4.8 0.0 1.0
O A:CYS8 4.8 0.0 1.0
HG13 A:ILE54 4.9 0.0 1.0
HD2 A:PRO50 4.9 0.0 1.0
C A:CYS8 4.9 0.0 1.0
H A:TYR32 4.9 0.0 1.0
HB2 A:GLN31 4.9 0.0 1.0
H A:LYS12 4.9 0.0 1.0
HE21 A:GLN31 5.0 0.0 1.0

Iron binding site 2 out of 7 in 1bd6

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Iron binding site 2 out of 7 in the 7-Fe Ferredoxin From Bacillus Schlegelii, uc(Nmr), Minimized Average Structure


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 Bacillus Schlegelii, uc(Nmr), Minimized Average Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe78

b:0.0
occ:1.00
FE3 A:F3S78 0.0 0.0 1.0
S1 A:F3S78 2.1 0.0 1.0
S3 A:F3S78 2.2 0.0 1.0
SG A:CYS49 2.2 0.0 1.0
S4 A:F3S78 2.3 0.0 1.0
FE4 A:F3S78 2.5 0.0 1.0
FE1 A:F3S78 2.6 0.0 1.0
HD2 A:PRO50 3.0 0.0 1.0
CB A:CYS49 3.4 0.0 1.0
HG13 A:ILE54 3.4 0.0 1.0
HB2 A:CYS49 3.4 0.0 1.0
HA A:CYS49 3.4 0.0 1.0
HB2 A:ALA53 3.5 0.0 1.0
S2 A:F3S78 3.7 0.0 1.0
HB2 A:CYS8 3.8 0.0 1.0
HB1 A:ALA53 3.8 0.0 1.0
HD13 A:ILE54 3.8 0.0 1.0
CA A:CYS49 3.9 0.0 1.0
CD A:PRO50 4.0 0.0 1.0
HB1 A:ALA14 4.0 0.0 1.0
CB A:ALA53 4.2 0.0 1.0
H A:ILE54 4.2 0.0 1.0
HB3 A:CYS16 4.2 0.0 1.0
HB3 A:CYS49 4.3 0.0 1.0
HD3 A:PRO50 4.3 0.0 1.0
CG1 A:ILE54 4.4 0.0 1.0
SG A:CYS16 4.4 0.0 1.0
H A:ALA53 4.5 0.0 1.0
SG A:CYS8 4.5 0.0 1.0
N A:PRO50 4.5 0.0 1.0
CD1 A:ILE54 4.5 0.0 1.0
C A:CYS49 4.6 0.0 1.0
HD13 A:ILE4 4.6 0.0 1.0
CB A:CYS8 4.6 0.0 1.0
HG12 A:ILE54 4.7 0.0 1.0
HB2 A:ALA14 4.8 0.0 1.0
N A:ILE54 4.9 0.0 1.0
HD11 A:ILE54 4.9 0.0 1.0
CB A:ALA14 4.9 0.0 1.0
HG2 A:PRO50 4.9 0.0 1.0
CB A:CYS16 4.9 0.0 1.0
HB3 A:ALA53 4.9 0.0 1.0
H A:CYS16 5.0 0.0 1.0

Iron binding site 3 out of 7 in 1bd6

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Iron binding site 3 out of 7 in the 7-Fe Ferredoxin From Bacillus Schlegelii, uc(Nmr), Minimized Average Structure


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 Bacillus Schlegelii, uc(Nmr), Minimized Average Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe78

b:0.0
occ:1.00
FE4 A:F3S78 0.0 0.0 1.0
S3 A:F3S78 2.1 0.0 1.0
SG A:CYS16 2.1 0.0 1.0
S2 A:F3S78 2.2 0.0 1.0
S4 A:F3S78 2.2 0.0 1.0
FE3 A:F3S78 2.5 0.0 1.0
FE1 A:F3S78 2.6 0.0 1.0
H A:CYS16 2.9 0.0 1.0
HB3 A:CYS16 3.0 0.0 1.0
CB A:CYS16 3.1 0.0 1.0
HD13 A:ILE54 3.2 0.0 1.0
N A:CYS16 3.5 0.0 1.0
S1 A:F3S78 3.7 0.0 1.0
HA A:SER15 3.8 0.0 1.0
CA A:CYS16 3.9 0.0 1.0
HB2 A:CYS16 4.0 0.0 1.0
HB1 A:ALA14 4.1 0.0 1.0
HG13 A:ILE54 4.2 0.0 1.0
CD1 A:ILE54 4.3 0.0 1.0
H A:VAL17 4.3 0.0 1.0
SG A:CYS49 4.4 0.0 1.0
HB2 A:CYS49 4.4 0.0 1.0
C A:SER15 4.4 0.0 1.0
HD1 A:TYR32 4.5 0.0 1.0
SG A:CYS8 4.5 0.0 1.0
HD13 A:ILE4 4.5 0.0 1.0
HA A:CYS16 4.5 0.0 1.0
CA A:SER15 4.6 0.0 1.0
CG1 A:ILE54 4.7 0.0 1.0
HA A:CYS49 4.7 0.0 1.0
HG12 A:ILE54 4.8 0.0 1.0
HB3 A:SER15 4.8 0.0 1.0
HD12 A:ILE54 4.8 0.0 1.0
HD11 A:ILE54 4.9 0.0 1.0
HD2 A:PRO50 4.9 0.0 1.0
CB A:CYS49 4.9 0.0 1.0
HB2 A:CYS8 4.9 0.0 1.0
HB2 A:TYR32 4.9 0.0 1.0
HD12 A:ILE4 4.9 0.0 1.0

Iron binding site 4 out of 7 in 1bd6

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Iron binding site 4 out of 7 in the 7-Fe Ferredoxin From Bacillus Schlegelii, uc(Nmr), Minimized Average Structure


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 Bacillus Schlegelii, uc(Nmr), Minimized Average Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe79

b:0.0
occ:1.00
FE1 A:SF479 0.0 0.0 1.0
SG A:CYS20 2.1 0.0 1.0
S2 A:SF479 2.2 0.0 1.0
S4 A:SF479 2.3 0.0 1.0
S3 A:SF479 2.3 0.0 1.0
FE2 A:SF479 2.5 0.0 1.0
FE3 A:SF479 2.5 0.0 1.0
FE4 A:SF479 2.6 0.0 1.0
HB2 A:CYS20 2.9 0.0 1.0
CB A:CYS20 3.0 0.0 1.0
HD2 A:PRO21 3.2 0.0 1.0
HA A:CYS20 3.3 0.0 1.0
HD13 A:ILE25 3.6 0.0 1.0
CA A:CYS20 3.7 0.0 1.0
S1 A:SF479 3.7 0.0 1.0
HG23 A:VAL22 3.8 0.0 1.0
HD12 A:ILE25 3.9 0.0 1.0
HB3 A:CYS20 3.9 0.0 1.0
H A:VAL22 4.0 0.0 1.0
HG21 A:VAL22 4.1 0.0 1.0
CD A:PRO21 4.2 0.0 1.0
CD1 A:ILE25 4.2 0.0 1.0
HA A:CYS39 4.3 0.0 1.0
HB3 A:CYS45 4.4 0.0 1.0
SG A:CYS39 4.4 0.0 1.0
SG A:CYS24 4.4 0.0 1.0
C A:CYS20 4.4 0.0 1.0
CG2 A:VAL22 4.4 0.0 1.0
HD3 A:PRO21 4.5 0.0 1.0
SG A:CYS42 4.5 0.0 1.0
SG A:CYS45 4.5 0.0 1.0
HB2 A:CYS39 4.5 0.0 1.0
N A:PRO21 4.5 0.0 1.0
H A:CYS24 4.6 0.0 1.0
HD11 A:ILE25 4.6 0.0 1.0
CB A:CYS39 4.8 0.0 1.0
H A:ILE40 4.8 0.0 1.0
HG22 A:VAL22 4.9 0.0 1.0
N A:CYS20 4.9 0.0 1.0
H A:CYS45 5.0 0.0 1.0

Iron binding site 5 out of 7 in 1bd6

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Iron binding site 5 out of 7 in the 7-Fe Ferredoxin From Bacillus Schlegelii, uc(Nmr), Minimized Average Structure


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 Bacillus Schlegelii, uc(Nmr), Minimized Average Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe79

b:0.0
occ:1.00
FE2 A:SF479 0.0 0.0 1.0
SG A:CYS39 2.0 0.0 1.0
S4 A:SF479 2.1 0.0 1.0
S1 A:SF479 2.2 0.0 1.0
S3 A:SF479 2.2 0.0 1.0
FE3 A:SF479 2.5 0.0 1.0
FE4 A:SF479 2.5 0.0 1.0
FE1 A:SF479 2.5 0.0 1.0
CB A:CYS39 3.1 0.0 1.0
HB2 A:CYS39 3.3 0.0 1.0
HA A:CYS39 3.5 0.0 1.0
HB2 A:TYR2 3.5 0.0 1.0
S2 A:SF479 3.6 0.0 1.0
H A:ILE40 3.7 0.0 1.0
H A:CYS42 3.8 0.0 1.0
CA A:CYS39 3.8 0.0 1.0
HB3 A:CYS39 4.1 0.0 1.0
N A:ILE40 4.2 0.0 1.0
H A:TYR2 4.3 0.0 1.0
HG22 A:ILE34 4.3 0.0 1.0
SG A:CYS45 4.4 0.0 1.0
SG A:CYS20 4.4 0.0 1.0
SG A:CYS42 4.4 0.0 1.0
C A:CYS39 4.4 0.0 1.0
HG13 A:ILE40 4.4 0.0 1.0
H A:ASP41 4.4 0.0 1.0
CB A:TYR2 4.6 0.0 1.0
N A:CYS42 4.6 0.0 1.0
HB3 A:CYS42 4.6 0.0 1.0
HG23 A:VAL22 4.7 0.0 1.0
HD1 A:TYR2 4.8 0.0 1.0
SG A:CYS24 4.8 0.0 1.0
HB2 A:ALA1 4.8 0.0 1.0
HB3 A:ALA1 4.8 0.0 1.0
HB3 A:TYR2 4.8 0.0 1.0
HA A:ASP41 4.9 0.0 1.0
HG21 A:ILE34 4.9 0.0 1.0
N A:ASP41 4.9 0.0 1.0
CB A:CYS42 4.9 0.0 1.0
HD2 A:PRO21 4.9 0.0 1.0
HD13 A:ILE25 5.0 0.0 1.0

Iron binding site 6 out of 7 in 1bd6

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Iron binding site 6 out of 7 in the 7-Fe Ferredoxin From Bacillus Schlegelii, uc(Nmr), Minimized Average Structure


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 Bacillus Schlegelii, uc(Nmr), Minimized Average Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe79

b:0.0
occ:1.00
FE3 A:SF479 0.0 0.0 1.0
S2 A:SF479 2.1 0.0 1.0
SG A:CYS42 2.1 0.0 1.0
S4 A:SF479 2.2 0.0 1.0
S1 A:SF479 2.3 0.0 1.0
FE2 A:SF479 2.5 0.0 1.0
FE4 A:SF479 2.5 0.0 1.0
FE1 A:SF479 2.5 0.0 1.0
HD2 A:PRO21 3.3 0.0 1.0
CB A:CYS42 3.4 0.0 1.0
HB3 A:CYS42 3.4 0.0 1.0
S3 A:SF479 3.7 0.0 1.0
H A:CYS42 3.7 0.0 1.0
H A:CYS45 3.7 0.0 1.0
HB2 A:ALA44 3.8 0.0 1.0
H A:ALA44 4.0 0.0 1.0
CA A:CYS42 4.1 0.0 1.0
SG A:CYS45 4.1 0.0 1.0
C A:CYS42 4.2 0.0 1.0
HG13 A:ILE40 4.2 0.0 1.0
O A:CYS42 4.2 0.0 1.0
N A:CYS42 4.2 0.0 1.0
HA A:CYS20 4.2 0.0 1.0
HB2 A:CYS42 4.2 0.0 1.0
SG A:CYS39 4.3 0.0 1.0
CD A:PRO21 4.3 0.0 1.0
HD3 A:PRO21 4.4 0.0 1.0
SG A:CYS20 4.4 0.0 1.0
HB3 A:CYS45 4.5 0.0 1.0
HG2 A:PRO21 4.5 0.0 1.0
H A:ILE40 4.6 0.0 1.0
HB2 A:CYS20 4.7 0.0 1.0
N A:CYS45 4.7 0.0 1.0
N A:ALA44 4.7 0.0 1.0
CB A:ALA44 4.8 0.0 1.0
N A:GLY43 4.9 0.0 1.0
CB A:CYS45 4.9 0.0 1.0
HG23 A:VAL22 5.0 0.0 1.0
CB A:CYS20 5.0 0.0 1.0
HB2 A:TYR2 5.0 0.0 1.0

Iron binding site 7 out of 7 in 1bd6

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Iron binding site 7 out of 7 in the 7-Fe Ferredoxin From Bacillus Schlegelii, uc(Nmr), Minimized Average Structure


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 Bacillus Schlegelii, uc(Nmr), Minimized Average Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe79

b:0.0
occ:1.00
FE4 A:SF479 0.0 0.0 1.0
SG A:CYS45 2.0 0.0 1.0
S1 A:SF479 2.1 0.0 1.0
S2 A:SF479 2.2 0.0 1.0
S3 A:SF479 2.2 0.0 1.0
FE3 A:SF479 2.5 0.0 1.0
FE2 A:SF479 2.5 0.0 1.0
FE1 A:SF479 2.6 0.0 1.0
HB3 A:CYS45 3.0 0.0 1.0
CB A:CYS45 3.1 0.0 1.0
H A:CYS45 3.5 0.0 1.0
S4 A:SF479 3.7 0.0 1.0
HB2 A:CYS45 3.8 0.0 1.0
HB2 A:TYR2 4.0 0.0 1.0
HB2 A:CYS20 4.1 0.0 1.0
N A:CYS45 4.2 0.0 1.0
CA A:CYS45 4.3 0.0 1.0
HD12 A:ILE34 4.3 0.0 1.0
H A:GLU46 4.3 0.0 1.0
SG A:CYS39 4.3 0.0 1.0
SG A:CYS42 4.3 0.0 1.0
HD13 A:ILE25 4.4 0.0 1.0
HD12 A:ILE25 4.4 0.0 1.0
HB3 A:TYR2 4.5 0.0 1.0
SG A:CYS20 4.5 0.0 1.0
HD12 A:ILE54 4.5 0.0 1.0
HG22 A:ILE54 4.6 0.0 1.0
HA A:CYS20 4.7 0.0 1.0
HG22 A:ILE34 4.7 0.0 1.0
HB2 A:ALA44 4.7 0.0 1.0
HG23 A:ILE54 4.7 0.0 1.0
CB A:TYR2 4.7 0.0 1.0
CB A:CYS20 4.7 0.0 1.0
O A:CYS42 4.9 0.0 1.0
H A:CYS42 4.9 0.0 1.0
CD1 A:ILE25 5.0 0.0 1.0
HD2 A:PRO21 5.0 0.0 1.0

Reference:

S.Aono, D.Bentrop, I.Bertini, A.Donaire, C.Luchinat, Y.Niikura, A.Rosato. Solution Structure of the Oxidized FE7S8 Ferredoxin From the Thermophilic Bacterium Bacillus Schlegelii By 1H uc(Nmr) Spectroscopy. Biochemistry V. 37 9812 1998.
ISSN: ISSN 0006-2960
PubMed: 9657695
DOI: 10.1021/BI972818B
Page generated: Wed Jul 16 12:33:19 2025

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