Iron in PDB 1blu: Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum

The structure of Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum, PDB code: 1blu was solved by Z.Dauter, K.S.Wilson, L.C.Sieker, J.M.Moulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	52.000, 52.000, 77.200, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / n/a

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

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:23.1 occ:1.00 FE1 A:SF4101 0.0 23.1 1.0 S4 A:SF4101 2.2 21.3 1.0 SG A:CYS53 2.2 18.0 1.0 S2 A:SF4101 2.2 22.6 1.0 S3 A:SF4101 2.2 24.3 1.0 FE3 A:SF4101 2.6 22.6 1.0 FE4 A:SF4101 2.7 23.3 1.0 FE2 A:SF4101 2.8 23.5 1.0 CB A:CYS53 3.5 22.0 1.0 SG A:CYS57 3.7 28.7 1.0 S1 A:SF4101 3.7 21.5 1.0 CA A:CYS53 3.9 19.5 1.0 CD A:PRO54 4.1 8.5 1.0 CD1 A:ILE58 4.3 14.2 1.0 SG A:CYS11 4.5 23.4 1.0 CG2 A:VAL55 4.6 22.4 1.0 N A:PRO54 4.7 13.9 1.0 C A:CYS53 4.7 19.5 1.0 CG1 A:ILE58 4.7 17.4 1.0 SG A:CYS8 4.8 19.2 1.0 SG A:CYS14 4.8 20.4 1.0 CG A:PRO54 5.0 16.7 1.0 CB A:CYS14 5.0 22.6 1.0

Iron binding site 2 out of 8 in the Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:23.5 occ:1.00 FE2 A:SF4101 0.0 23.5 1.0 S3 A:SF4101 2.2 24.3 1.0 S1 A:SF4101 2.2 21.5 1.0 S4 A:SF4101 2.3 21.3 1.0 SG A:CYS14 2.3 20.4 1.0 FE4 A:SF4101 2.6 23.3 1.0 FE1 A:SF4101 2.8 23.1 1.0 FE3 A:SF4101 2.8 22.6 1.0 CB A:CYS14 3.2 22.6 1.0 N A:CYS14 3.8 26.3 1.0 S2 A:SF4101 3.8 22.6 1.0 CA A:CYS14 4.1 23.3 1.0 SG A:CYS11 4.6 23.4 1.0 CB A:TYR30 4.6 24.7 1.0 CD1 A:ILE58 4.6 14.2 1.0 SG A:CYS8 4.6 19.2 1.0 CG A:TYR30 4.6 22.5 1.0 SG A:CYS53 4.7 18.0 1.0 CD1 A:ILE4 4.8 12.2 1.0 CD1 A:TYR30 5.0 21.5 1.0 N A:VAL13 5.0 24.6 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:22.6 occ:1.00 FE3 A:SF4101 0.0 22.6 1.0 S2 A:SF4101 2.2 22.6 1.0 S4 A:SF4101 2.2 21.3 1.0 SG A:CYS8 2.3 19.2 1.0 S1 A:SF4101 2.3 21.5 1.0 FE1 A:SF4101 2.6 23.1 1.0 FE4 A:SF4101 2.7 23.3 1.0 FE2 A:SF4101 2.8 23.5 1.0 CB A:CYS8 3.1 14.8 1.0 CA A:CYS8 3.6 26.1 1.0 S3 A:SF4101 3.8 24.3 1.0 SG A:CYS57 4.0 28.7 1.0 N A:ILE9 4.0 22.3 1.0 C A:CYS8 4.1 24.9 1.0 N A:ASN10 4.3 21.1 1.0 CG2 A:ILE4 4.5 16.7 1.0 CB A:TYR30 4.6 24.7 1.0 SG A:CYS53 4.6 18.0 1.0 CA A:ASN10 4.7 24.7 1.0 N A:CYS11 4.7 23.0 1.0 CD1 A:TYR30 4.8 21.5 1.0 SG A:CYS11 4.8 23.4 1.0 SG A:CYS14 4.9 20.4 1.0 CG A:TYR30 4.9 22.5 1.0 N A:CYS8 4.9 28.9 1.0

Iron binding site 4 out of 8 in the Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:23.3 occ:1.00 FE4 A:SF4101 0.0 23.3 1.0 S1 A:SF4101 2.2 21.5 1.0 SG A:CYS11 2.2 23.4 1.0 S3 A:SF4101 2.2 24.3 1.0 S2 A:SF4101 2.2 22.6 1.0 FE2 A:SF4101 2.6 23.5 1.0 FE1 A:SF4101 2.7 23.1 1.0 FE3 A:SF4101 2.7 22.6 1.0 CB A:CYS11 3.6 19.4 1.0 N A:CYS11 3.6 23.0 1.0 S4 A:SF4101 3.7 21.3 1.0 CA A:CYS11 4.0 28.4 1.0 CD A:PRO54 4.1 8.5 1.0 N A:ASP12 4.2 33.5 1.0 C A:CYS11 4.3 32.0 1.0 CG A:PRO54 4.5 16.7 1.0 N A:VAL13 4.5 24.6 1.0 SG A:CYS53 4.6 18.0 1.0 SG A:CYS8 4.7 19.2 1.0 SG A:CYS14 4.7 20.4 1.0 C A:ASN10 4.8 23.0 1.0 N A:CYS14 4.8 26.3 1.0 CG1 A:ILE9 4.8 18.6 1.0 N A:ASN10 4.8 21.1 1.0 CA A:ASN10 5.0 24.7 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe102 b:15.5 occ:1.00 FE1 A:SF4102 0.0 15.5 1.0 S2 A:SF4102 2.1 14.5 1.0 S3 A:SF4102 2.2 15.7 1.0 SG A:CYS18 2.2 13.0 1.0 S4 A:SF4102 2.3 14.6 1.0 FE4 A:SF4102 2.6 17.0 1.0 FE3 A:SF4102 2.6 16.1 1.0 FE2 A:SF4102 2.7 15.7 1.0 CB A:CYS18 3.3 8.4 1.0 S1 A:SF4102 3.7 14.2 1.0 CA A:CYS18 3.8 18.0 1.0 CB A:ALA22 4.1 3.4 1.0 CD A:PRO19 4.2 14.6 1.0 CD1 A:ILE23 4.5 21.1 1.0 SG A:CYS40 4.5 17.6 1.0 C A:CYS18 4.6 16.3 1.0 N A:PRO19 4.6 16.0 1.0 CG1 A:ILE23 4.6 21.5 1.0 SG A:CYS49 4.8 14.9 1.0 SG A:CYS37 4.8 14.2 1.0 N A:CYS18 5.0 20.6 1.0 CG A:PRO19 5.0 12.2 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe102 b:15.7 occ:1.00 FE2 A:SF4102 0.0 15.7 1.0 S1 A:SF4102 2.1 14.2 1.0 S4 A:SF4102 2.2 14.6 1.0 SG A:CYS49 2.2 14.9 1.0 S3 A:SF4102 2.2 15.7 1.0 FE3 A:SF4102 2.5 16.1 1.0 FE1 A:SF4102 2.7 15.5 1.0 FE4 A:SF4102 2.7 17.0 1.0 CB A:CYS49 3.3 15.9 1.0 S2 A:SF4102 3.8 14.5 1.0 N A:CYS49 4.0 19.0 1.0 CD1 A:ILE23 4.1 21.1 1.0 CA A:CYS49 4.2 16.4 1.0 CD1 A:LEU2 4.6 9.7 1.0 SG A:CYS37 4.6 14.2 1.0 SG A:CYS40 4.6 17.6 1.0 CB A:SER47 4.7 22.3 1.0 SG A:CYS18 4.7 13.0 1.0 CD1 A:ILE32 4.8 7.7 1.0 N A:GLN48 4.9 11.2 1.0 CG1 A:ILE23 4.9 21.5 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe102 b:16.1 occ:1.00 FE3 A:SF4102 0.0 16.1 1.0 S4 A:SF4102 2.1 14.6 1.0 S1 A:SF4102 2.2 14.2 1.0 S2 A:SF4102 2.3 14.5 1.0 SG A:CYS37 2.4 14.2 1.0 FE2 A:SF4102 2.5 15.7 1.0 FE1 A:SF4102 2.6 15.5 1.0 FE4 A:SF4102 2.7 17.0 1.0 CB A:CYS37 3.3 7.7 1.0 S3 A:SF4102 3.7 15.7 1.0 CA A:CYS37 3.8 13.4 1.0 N A:GLU39 4.2 11.6 1.0 CA A:GLU39 4.3 16.4 1.0 C A:CYS37 4.4 17.8 1.0 N A:THR38 4.4 11.2 1.0 SG A:CYS49 4.5 14.9 1.0 SG A:CYS18 4.6 13.0 1.0 N A:CYS40 4.7 20.9 1.0 CB A:ALA22 4.8 3.4 1.0 C A:GLU39 4.9 18.9 1.0 CG A:LEU2 4.9 12.8 1.0 CG2 A:ILE32 4.9 10.0 1.0 CD1 A:ILE32 5.0 7.7 1.0

Iron binding site 8 out of 8 in the Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe102 b:17.0 occ:1.00 FE4 A:SF4102 0.0 17.0 1.0 S3 A:SF4102 2.1 15.7 1.0 S2 A:SF4102 2.2 14.5 1.0 S1 A:SF4102 2.3 14.2 1.0 SG A:CYS40 2.3 17.6 1.0 FE1 A:SF4102 2.6 15.5 1.0 FE2 A:SF4102 2.7 15.7 1.0 FE3 A:SF4102 2.7 16.1 1.0 CB A:CYS40 3.4 14.1 1.0 N A:CYS40 3.6 20.9 1.0 CA A:CYS40 3.8 20.8 1.0 S4 A:SF4102 3.8 14.6 1.0 C A:GLU39 4.1 18.9 1.0 CD A:PRO19 4.2 14.6 1.0 N A:GLN48 4.3 11.2 1.0 CA A:GLU39 4.4 16.4 1.0 SG A:CYS18 4.5 13.0 1.0 CA A:SER47 4.6 20.1 1.0 CG A:PRO19 4.6 12.2 1.0 N A:GLU39 4.6 11.6 1.0 O A:GLU39 4.6 19.8 1.0 SG A:CYS49 4.6 14.9 1.0 CB A:SER47 4.7 22.3 1.0 SG A:CYS37 4.8 14.2 1.0 C A:SER47 5.0 17.8 1.0

J.M.Moulis, L.C.Sieker, K.S.Wilson, Z.Dauter. Crystal Structure of the 2[4FE-4S] Ferredoxin From Chromatium Vinosum: Evolutionary and Mechanistic Inferences For [3/4FE-4S] Ferredoxins. Protein Sci. V. 5 1765 1996.
ISSN: ISSN 0961-8368
PubMed: 8880900