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

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 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 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 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 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 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 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 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

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