Iron in PDB 1iqz: Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I)

The structure of Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I), PDB code: 1iqz was solved by K.Fukuyama, T.Okada, Y.Kakuta, Y.Takahashi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 0.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.700, 37.450, 32.560, 90.00, 105.70, 90.00
R / Rfree (%)	9.7 / 11

The binding sites of Iron atom in the Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I) (pdb code 1iqz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I), PDB code: 1iqz:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe82 b:4.2 occ:1.00 FE1 A:SF482 0.0 4.2 1.0 SG A:CYS61 2.3 4.9 1.0 S2 A:SF482 2.3 4.4 1.0 S4 A:SF482 2.3 4.5 1.0 S3 A:SF482 2.3 4.8 1.0 FE2 A:SF482 2.7 4.7 1.0 FE4 A:SF482 2.7 4.5 1.0 FE3 A:SF482 2.7 4.3 1.0 CB A:CYS61 3.4 4.3 1.0 S1 A:SF482 3.9 5.0 1.0 CA A:CYS61 4.0 4.4 1.0 CD A:PRO62 4.2 5.1 1.0 CB A:SER65 4.3 4.8 1.0 OG1 A:THR63 4.4 7.4 1.0 CD1 A:ILE66 4.5 5.6 1.0 CG1 A:ILE66 4.5 5.2 1.0 OG A:SER65 4.5 6.2 1.0 C A:CYS61 4.6 4.5 1.0 N A:PRO62 4.6 4.6 1.0 SG A:CYS14 4.6 5.7 1.0 SG A:CYS17 4.8 4.6 1.0 SG A:CYS11 4.9 5.3 1.0 N A:SER65 4.9 4.5 1.0 CG A:PRO62 4.9 5.1 1.0 N A:ILE66 5.0 4.0 1.0

Iron binding site 2 out of 4 in the Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe82 b:4.7 occ:1.00 FE2 A:SF482 0.0 4.7 1.0 SG A:CYS14 2.3 5.7 1.0 S1 A:SF482 2.3 5.0 1.0 S3 A:SF482 2.3 4.8 1.0 S4 A:SF482 2.3 4.5 1.0 FE1 A:SF482 2.7 4.2 1.0 FE4 A:SF482 2.7 4.5 1.0 FE3 A:SF482 2.7 4.3 1.0 CB A:CYS14 3.4 7.0 1.0 N A:CYS14 3.6 7.3 1.0 S2 A:SF482 3.9 4.4 1.0 CA A:CYS14 3.9 7.1 1.0 N A:GLY15 4.2 7.1 1.0 CD A:PRO62 4.2 5.1 1.0 N A:ALA16 4.3 6.0 1.0 C A:CYS14 4.3 6.8 1.0 CG A:PRO62 4.5 5.1 1.0 N A:ALA13 4.6 6.3 1.0 SG A:CYS61 4.6 4.9 1.0 SG A:CYS17 4.7 4.6 1.0 C A:ALA13 4.7 6.7 1.0 SG A:CYS11 4.7 5.3 1.0 CB A:ALA16 4.8 7.3 1.0 N A:CYS17 4.9 5.1 1.0 CG1 A:ILE12 5.0 6.5 1.0 CA A:ALA13 5.0 7.0 1.0

Iron binding site 3 out of 4 in the Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe82 b:4.3 occ:1.00 FE3 A:SF482 0.0 4.3 1.0 S4 A:SF482 2.3 4.5 1.0 SG A:CYS17 2.3 4.6 1.0 S2 A:SF482 2.3 4.4 1.0 S1 A:SF482 2.3 5.0 1.0 FE4 A:SF482 2.7 4.5 1.0 FE1 A:SF482 2.7 4.2 1.0 FE2 A:SF482 2.7 4.7 1.0 CB A:CYS17 3.2 4.5 1.0 CB A:ALA33 3.7 5.9 1.0 S3 A:SF482 3.9 4.8 1.0 N A:CYS17 3.9 5.1 1.0 CA A:CYS17 4.2 4.6 1.0 CD1 A:ILE66 4.3 5.6 1.0 SG A:CYS14 4.7 5.7 1.0 SG A:CYS11 4.7 5.3 1.0 CG1 A:ILE66 4.8 5.2 1.0 SG A:CYS61 4.8 4.9 1.0 CE2 A:TYR27 4.9 7.6 1.0 N A:ALA16 4.9 6.0 1.0

Iron binding site 4 out of 4 in the Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus (Form I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe82 b:4.5 occ:1.00 FE4 A:SF482 0.0 4.5 1.0 S3 A:SF482 2.3 4.8 1.0 S2 A:SF482 2.3 4.4 1.0 S1 A:SF482 2.3 5.0 1.0 SG A:CYS11 2.3 5.3 1.0 FE3 A:SF482 2.7 4.3 1.0 FE1 A:SF482 2.7 4.2 1.0 FE2 A:SF482 2.7 4.7 1.0 CB A:CYS11 3.4 5.6 1.0 CA A:CYS11 3.8 5.5 1.0 S4 A:SF482 3.9 4.5 1.0 N A:ALA13 4.0 6.3 1.0 N A:ILE12 4.0 5.5 1.0 CB A:ALA33 4.1 5.9 1.0 C A:CYS11 4.3 5.8 1.0 CA A:ALA13 4.6 7.0 1.0 N A:CYS14 4.7 7.3 1.0 N A:ALA33 4.7 5.7 1.0 SG A:CYS17 4.8 4.6 1.0 SG A:CYS61 4.8 4.9 1.0 CB A:SER65 4.8 4.8 1.0 C A:ILE12 4.9 6.5 1.0 OG A:SER65 4.9 6.2 1.0 SG A:CYS14 4.9 5.7 1.0

K.Fukuyama, T.Okada, Y.Kakuta, Y.Takahashi. Atomic Resolution Structures of Oxidized [4FE-4S] Ferredoxin From Bacillus Thermoproteolyticus in Two Crystal Forms: Systematic Distortion of [4FE-4S] Cluster in the Protein. J.Mol.Biol. V. 315 1155 2002.
ISSN: ISSN 0022-2836
PubMed: 11827483
DOI: 10.1006/JMBI.2001.5292