Iron in PDB 3eun: Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum

The structure of Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum, PDB code: 3eun was solved by E.Saridakis, I.M.Mavridis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.00 / 1.05
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	51.182, 51.182, 76.466, 90.00, 90.00, 120.00
R / Rfree (%)	10.3 / n/a

The binding sites of Iron atom in the Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum (pdb code 3eun). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum, PDB code: 3eun:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:14.0 occ:1.00 FE1 A:SF4101 0.0 14.0 1.0 S2 A:SF4101 2.3 13.5 1.0 S4 A:SF4101 2.3 14.1 1.0 S3 A:SF4101 2.3 14.3 1.0 SG A:CYS8 2.3 15.4 1.0 FE3 A:SF4101 2.7 12.8 1.0 FE4 A:SF4101 2.7 13.3 1.0 FE2 A:SF4101 2.7 13.4 1.0 CB A:CYS8 3.3 16.4 1.0 CA A:CYS8 3.7 15.5 1.0 S1 A:SF4101 3.8 12.8 1.0 N A:ILE9 4.0 15.7 1.0 N A:ASN10 4.0 14.7 1.0 C A:CYS8 4.3 15.7 1.0 CG2 A:ILE4 4.5 15.9 1.0 CB A:TYR30 4.5 17.0 1.0 N A:CYS11 4.5 15.0 1.0 CA A:ASN10 4.6 15.8 1.0 CD1 A:TYR30 4.7 19.3 1.0 SG A:CYS14 4.8 13.5 1.0 SG A:CYS53 4.8 13.8 1.0 CG A:TYR30 4.8 18.0 1.0 SG A:CYS11 4.9 14.0 1.0 CB A:ALA57 4.9 17.9 1.0 C A:ILE9 4.9 15.2 1.0 N A:CYS8 5.0 16.0 1.0

Iron binding site 2 out of 8 in the Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:13.4 occ:1.00 FE2 A:SF4101 0.0 13.4 1.0 SG A:CYS11 2.2 14.0 1.0 S3 A:SF4101 2.3 14.3 1.0 S1 A:SF4101 2.3 12.8 1.0 S4 A:SF4101 2.3 14.1 1.0 FE3 A:SF4101 2.7 12.8 1.0 FE1 A:SF4101 2.7 14.0 1.0 FE4 A:SF4101 2.7 13.3 1.0 CB A:CYS11 3.5 14.3 1.0 N A:CYS11 3.6 15.0 1.0 S2 A:SF4101 3.9 13.5 1.0 CA A:CYS11 3.9 14.6 1.0 CD A:PRO54 4.0 15.8 1.0 N A:ASP12 4.0 15.2 1.0 C A:CYS11 4.2 14.7 1.0 N A:VAL13 4.3 15.0 1.0 CG A:PRO54 4.5 17.1 1.0 CG2 A:VAL13 4.5 22.8 0.6 N A:ASN10 4.6 14.7 1.0 SG A:CYS14 4.6 13.5 1.0 SG A:CYS53 4.7 13.8 1.0 CG1 A:ILE9 4.7 17.4 1.0 SG A:CYS8 4.7 15.4 1.0 C A:ASN10 4.7 15.3 1.0 N A:CYS14 4.8 14.3 1.0 CB A:VAL13 4.9 16.0 0.4 C A:ASP12 5.0 18.5 1.0

Iron binding site 3 out of 8 in the Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:12.8 occ:1.00 FE3 A:SF4101 0.0 12.8 1.0 SG A:CYS14 2.2 13.5 1.0 S1 A:SF4101 2.3 12.8 1.0 S4 A:SF4101 2.3 14.1 1.0 S2 A:SF4101 2.3 13.5 1.0 FE1 A:SF4101 2.7 14.0 1.0 FE2 A:SF4101 2.7 13.4 1.0 FE4 A:SF4101 2.7 13.3 1.0 CB A:CYS14 3.3 13.7 1.0 S3 A:SF4101 3.9 14.3 1.0 N A:CYS14 4.0 14.3 1.0 O A:HOH357 4.1 37.3 0.9 CA A:CYS14 4.3 13.6 1.0 CD1 A:ILE58 4.5 14.2 1.0 CB A:TYR30 4.6 17.0 1.0 SG A:CYS11 4.7 14.0 1.0 SG A:CYS8 4.7 15.4 1.0 CD1 A:ILE4 4.7 14.9 1.0 CG A:TYR30 4.7 18.0 1.0 SG A:CYS53 4.8 13.8 1.0 N A:VAL13 4.8 15.0 1.0

Iron binding site 4 out of 8 in the Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:13.3 occ:1.00 FE4 A:SF4101 0.0 13.3 1.0 S2 A:SF4101 2.3 13.5 1.0 S3 A:SF4101 2.3 14.3 1.0 SG A:CYS53 2.3 13.8 1.0 S1 A:SF4101 2.3 12.8 1.0 FE1 A:SF4101 2.7 14.0 1.0 FE3 A:SF4101 2.7 12.8 1.0 FE2 A:SF4101 2.7 13.4 1.0 CB A:CYS53 3.3 13.6 1.0 CA A:CYS53 3.8 14.6 1.0 S4 A:SF4101 3.9 14.1 1.0 CD A:PRO54 4.0 15.8 1.0 CB A:ALA57 4.3 17.9 1.0 CD1 A:ILE58 4.4 14.2 1.0 CG1 A:ILE58 4.4 13.4 1.0 N A:PRO54 4.5 15.5 1.0 C A:CYS53 4.6 15.4 1.0 CG2 A:VAL55 4.6 18.2 1.0 SG A:CYS11 4.7 14.0 1.0 SG A:CYS14 4.8 13.5 1.0 SG A:CYS8 4.9 15.4 1.0 CG A:PRO54 4.9 17.1 1.0

Iron binding site 5 out of 8 in the Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe102 b:12.1 occ:1.00 FE1 A:SF4102 0.0 12.1 1.0 S3 A:SF4102 2.3 12.2 1.0 S2 A:SF4102 2.3 11.8 1.0 SG A:CYS37 2.3 12.6 1.0 S4 A:SF4102 2.3 12.9 1.0 FE4 A:SF4102 2.7 11.7 1.0 FE3 A:SF4102 2.7 12.1 1.0 FE2 A:SF4102 2.8 12.3 1.0 CB A:CYS37 3.3 12.4 1.0 CA A:CYS37 3.7 11.9 1.0 N A:GLU39 3.8 13.2 1.0 S1 A:SF4102 3.9 12.1 1.0 CA A:GLU39 4.1 13.7 1.0 N A:THR38 4.2 12.1 1.0 C A:CYS37 4.2 12.3 1.0 N A:CYS40 4.4 13.2 1.0 C A:GLU39 4.7 14.1 1.0 SG A:CYS49 4.7 12.6 1.0 SG A:CYS18 4.7 11.9 1.0 CG A:LEU2 4.9 12.9 1.0 CB A:ALA22 4.9 12.3 1.0 C A:THR38 4.9 13.2 1.0 N A:CYS37 4.9 12.0 1.0

Iron binding site 6 out of 8 in the Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe102 b:12.3 occ:1.00 FE2 A:SF4102 0.0 12.3 1.0 S4 A:SF4102 2.3 12.9 1.0 SG A:CYS40 2.3 13.1 1.0 S3 A:SF4102 2.3 12.2 1.0 S1 A:SF4102 2.3 12.1 1.0 FE4 A:SF4102 2.7 11.7 1.0 FE3 A:SF4102 2.8 12.1 1.0 FE1 A:SF4102 2.8 12.1 1.0 N A:CYS40 3.2 13.2 1.0 CB A:CYS40 3.4 14.2 1.0 CA A:CYS40 3.6 13.3 1.0 C A:GLU39 3.9 14.1 1.0 S2 A:SF4102 3.9 11.8 1.0 CA A:GLU39 4.2 13.7 1.0 N A:GLN48 4.3 13.5 1.0 CD A:PRO19 4.3 12.9 1.0 OG A:SER47 4.4 12.7 0.7 CA A:SER47 4.4 14.1 1.0 N A:GLU39 4.5 13.2 1.0 O A:GLU39 4.6 15.8 1.0 SG A:CYS18 4.6 11.9 1.0 SG A:CYS49 4.7 12.6 1.0 CB A:SER47 4.7 14.9 1.0 OG A:SER47 4.7 20.5 0.3 OG1 A:THR38 4.8 13.0 1.0 CG A:PRO19 4.8 14.0 1.0 SG A:CYS37 4.8 12.6 1.0 C A:SER47 4.9 14.4 1.0 N A:CYS49 5.0 12.6 1.0

Iron binding site 7 out of 8 in the Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe102 b:12.1 occ:1.00 FE3 A:SF4102 0.0 12.1 1.0 S1 A:SF4102 2.2 12.1 1.0 SG A:CYS49 2.3 12.6 1.0 S2 A:SF4102 2.3 11.8 1.0 S4 A:SF4102 2.3 12.9 1.0 FE4 A:SF4102 2.7 11.7 1.0 FE1 A:SF4102 2.7 12.1 1.0 FE2 A:SF4102 2.8 12.3 1.0 CB A:CYS49 3.3 12.7 1.0 OG A:SER47 3.8 12.7 0.7 S3 A:SF4102 3.9 12.2 1.0 N A:CYS49 4.0 12.6 1.0 CA A:CYS49 4.3 12.5 1.0 CD1 A:ILE23 4.3 14.6 1.0 SG A:CYS40 4.7 13.1 1.0 CD1 A:LEU2 4.7 14.0 1.0 SG A:CYS37 4.7 12.6 1.0 CD1 A:ILE32 4.8 13.0 1.0 SG A:CYS18 4.8 11.9 1.0 CB A:SER47 4.8 14.9 1.0 N A:GLN48 4.8 13.5 1.0 CG1 A:ILE23 5.0 13.8 1.0

Iron binding site 8 out of 8 in the Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of the 2[4FE-4S] C57A Ferredoxin Variant From Allochromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe102 b:11.7 occ:1.00 FE4 A:SF4102 0.0 11.7 1.0 S2 A:SF4102 2.2 11.8 1.0 SG A:CYS18 2.3 11.9 1.0 S1 A:SF4102 2.3 12.1 1.0 S3 A:SF4102 2.3 12.2 1.0 FE1 A:SF4102 2.7 12.1 1.0 FE3 A:SF4102 2.7 12.1 1.0 FE2 A:SF4102 2.7 12.3 1.0 CB A:CYS18 3.2 12.5 1.0 CA A:CYS18 3.8 12.7 1.0 S4 A:SF4102 3.8 12.9 1.0 CB A:ALA22 4.2 12.3 1.0 CD A:PRO19 4.2 12.9 1.0 SG A:CYS40 4.5 13.1 1.0 C A:CYS18 4.5 12.2 1.0 N A:PRO19 4.6 11.9 1.0 CD1 A:ILE23 4.7 14.6 1.0 CG1 A:ILE23 4.8 13.8 1.0 SG A:CYS37 4.8 12.6 1.0 SG A:CYS49 4.8 12.6 1.0 N A:ALA22 4.9 11.9 1.0 N A:CYS18 5.0 12.8 1.0

E.Saridakis, P.Giastas, G.Efthymiou, V.Thoma, J.M.Moulis, P.Kyritsis, I.M.Mavridis. Insight Into the Protein and Solvent Contributions to the Reduction Potentials of [4FE-4S]2+/+ Clusters: Crystal Structures of the Allochromatium Vinosum Ferredoxin Variants C57A and V13G and the Homologous Escherichia Coli Ferredoxin. J.Biol.Inorg.Chem. V. 14 783 2009.
ISSN: ISSN 0949-8257
PubMed: 19290553
DOI: 10.1007/S00775-009-0492-X