Iron in PDB 1fda: Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6

The structure of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6, PDB code: 1fda was solved by C.D.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.200, 55.200, 95.100, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / n/a

The binding sites of Iron atom in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 (pdb code 1fda). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6, PDB code: 1fda:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:12.6 occ:1.00 FE1 A:SF4107 0.0 12.6 1.0 S2 A:SF4107 2.3 15.3 1.0 SG A:CYS39 2.3 11.9 1.0 S4 A:SF4107 2.3 15.4 1.0 S3 A:SF4107 2.3 15.1 1.0 FE3 A:SF4107 2.6 16.8 1.0 FE4 A:SF4107 2.7 13.9 1.0 FE2 A:SF4107 2.7 15.5 1.0 CB A:CYS39 3.4 10.3 1.0 CA A:CYS39 3.8 11.3 1.0 S1 A:SF4107 3.8 13.1 1.0 SG A:CYS24 4.0 14.9 1.0 N A:ASP41 4.0 15.4 1.0 N A:ILE40 4.1 13.4 1.0 C A:CYS39 4.4 12.4 1.0 CB A:PHE2 4.5 12.2 1.0 CG2 A:ILE34 4.5 3.1 1.0 CA A:ASP41 4.6 16.3 1.0 SG A:CYS45 4.7 14.9 1.0 CD1 A:PHE2 4.8 13.4 1.0 N A:CYS42 4.8 14.3 1.0 SG A:CYS20 4.8 13.9 1.0 CG A:PHE2 4.9 12.4 1.0 N A:PHE2 4.9 14.2 1.0 SG A:CYS42 4.9 13.9 1.0 C A:ILE40 4.9 15.5 1.0

Iron binding site 2 out of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:15.5 occ:1.00 FE2 A:SF4107 0.0 15.5 1.0 S1 A:SF4107 2.2 13.1 1.0 S3 A:SF4107 2.3 15.1 1.0 SG A:CYS42 2.3 13.9 1.0 S4 A:SF4107 2.3 15.4 1.0 FE3 A:SF4107 2.7 16.8 1.0 FE4 A:SF4107 2.7 13.9 1.0 FE1 A:SF4107 2.7 12.6 1.0 CB A:CYS42 3.5 13.2 1.0 N A:CYS42 3.7 14.3 1.0 N A:ALA43 3.9 12.7 1.0 S2 A:SF4107 3.9 15.3 1.0 CA A:CYS42 4.0 13.6 1.0 CD A:PRO21 4.1 13.5 1.0 N A:LEU44 4.3 15.7 1.0 C A:CYS42 4.3 13.7 1.0 CG A:PRO21 4.6 13.4 1.0 SG A:CYS45 4.6 14.9 1.0 N A:ASP41 4.6 15.4 1.0 SG A:CYS39 4.6 11.9 1.0 C A:ASP41 4.7 14.9 1.0 CG1 A:ILE40 4.7 13.1 1.0 SG A:CYS20 4.7 13.9 1.0 CA A:ALA43 4.7 12.3 1.0 CB A:LEU44 4.8 14.2 1.0 CA A:ASP41 4.9 16.3 1.0 N A:CYS45 4.9 16.6 1.0 C A:ALA43 4.9 13.4 1.0

Iron binding site 3 out of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:16.8 occ:1.00 FE3 A:SF4107 0.0 16.8 1.0 S4 A:SF4107 2.3 15.4 1.0 S2 A:SF4107 2.3 15.3 1.0 SG A:CYS45 2.3 14.9 1.0 S1 A:SF4107 2.3 13.1 1.0 FE1 A:SF4107 2.6 12.6 1.0 FE2 A:SF4107 2.7 15.5 1.0 FE4 A:SF4107 2.7 13.9 1.0 CB A:CYS45 3.4 16.0 1.0 S3 A:SF4107 3.8 15.1 1.0 N A:CYS45 4.1 16.6 1.0 CA A:CYS45 4.4 15.6 1.0 CB A:PHE2 4.4 12.2 1.0 CE1 A:PHE25 4.5 12.1 1.0 CZ A:PHE25 4.6 12.9 1.0 SG A:CYS39 4.6 11.9 1.0 CD1 A:ILE34 4.6 4.9 1.0 SG A:CYS42 4.6 13.9 1.0 CG A:PHE2 4.7 12.4 1.0 SG A:CYS20 4.8 13.9 1.0 N A:LEU44 4.8 15.7 1.0 N A:ALA43 5.0 12.7 1.0

Iron binding site 4 out of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:13.9 occ:1.00 FE4 A:SF4107 0.0 13.9 1.0 S3 A:SF4107 2.3 15.1 1.0 S1 A:SF4107 2.3 13.1 1.0 S2 A:SF4107 2.3 15.3 1.0 SG A:CYS20 2.3 13.9 1.0 FE1 A:SF4107 2.7 12.6 1.0 FE3 A:SF4107 2.7 16.8 1.0 FE2 A:SF4107 2.7 15.5 1.0 CB A:CYS20 3.4 12.9 1.0 SG A:CYS24 3.5 14.9 1.0 CA A:CYS20 3.9 15.0 1.0 S4 A:SF4107 3.9 15.4 1.0 CD A:PRO21 4.1 13.5 1.0 CE1 A:PHE25 4.3 12.1 1.0 CG2 A:VAL22 4.4 14.3 1.0 C A:CYS20 4.6 15.3 1.0 SG A:CYS42 4.7 13.9 1.0 N A:PRO21 4.7 14.2 1.0 SG A:CYS45 4.7 14.9 1.0 SG A:CYS39 4.8 11.9 1.0 CD1 A:PHE25 4.9 12.3 1.0

Iron binding site 5 out of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:15.8 occ:1.00 FE1 A:F3S108 0.0 15.8 1.0 S2 A:F3S108 2.3 13.9 1.0 S3 A:F3S108 2.3 13.3 1.0 SG A:CYS16 2.3 15.0 1.0 S1 A:F3S108 2.3 14.7 1.0 FE4 A:F3S108 2.6 14.8 1.0 FE3 A:F3S108 2.7 14.2 1.0 CB A:CYS16 3.3 13.1 1.0 S4 A:F3S108 3.9 13.9 1.0 CA A:THR14 4.0 12.7 1.0 N A:THR14 4.0 12.7 1.0 N A:CYS16 4.1 15.4 1.0 CD2 A:LEU32 4.3 13.5 1.0 CA A:CYS16 4.3 13.5 1.0 C A:THR14 4.4 13.4 1.0 N A:ASP15 4.5 15.2 1.0 CD1 A:ILE54 4.6 9.8 1.0 SG A:CYS49 4.7 13.8 1.0 SG A:CYS8 4.8 10.6 1.0 CB A:LEU32 4.9 13.7 1.0 CE2 A:PHE25 4.9 13.2 1.0 N A:TYR13 5.0 12.4 1.0

Iron binding site 6 out of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:14.2 occ:1.00 FE3 A:F3S108 0.0 14.2 1.0 SG A:CYS8 2.3 10.6 1.0 S3 A:F3S108 2.3 13.3 1.0 S4 A:F3S108 2.3 13.9 1.0 S1 A:F3S108 2.3 14.7 1.0 FE4 A:F3S108 2.6 14.8 1.0 FE1 A:F3S108 2.7 15.8 1.0 CB A:CYS8 3.2 10.6 1.0 CA A:CYS8 3.9 12.0 1.0 S2 A:F3S108 3.9 13.9 1.0 CA A:LYS12 4.1 10.6 1.0 N A:TYR13 4.3 12.4 1.0 N A:LYS12 4.4 11.1 1.0 CG1 A:VAL4 4.4 9.2 1.0 SG A:CYS49 4.6 13.8 1.0 O A:CYS8 4.6 14.3 1.0 CB A:LEU32 4.7 13.7 1.0 C A:CYS8 4.7 13.6 1.0 C A:LYS12 4.7 12.2 1.0 SG A:CYS16 4.8 15.0 1.0 N A:THR14 4.9 12.7 1.0

Iron binding site 7 out of 7 in the Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structures of Oxidized and Reduced Azotobacter Vinelandii Ferredoxin at pH 8 and pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:14.8 occ:1.00 FE4 A:F3S108 0.0 14.8 1.0 S3 A:F3S108 2.3 13.3 1.0 S2 A:F3S108 2.3 13.9 1.0 SG A:CYS49 2.3 13.8 1.0 S4 A:F3S108 2.3 13.9 1.0 FE1 A:F3S108 2.6 15.8 1.0 FE3 A:F3S108 2.6 14.2 1.0 CB A:CYS49 3.3 13.6 1.0 CA A:CYS49 3.8 14.3 1.0 S1 A:F3S108 3.9 14.7 1.0 CD A:PRO50 4.4 12.8 1.0 C A:CYS49 4.5 12.8 1.0 CB A:ALA51 4.6 11.0 1.0 N A:PRO50 4.6 13.2 1.0 CB A:ALA53 4.7 9.9 1.0 SG A:CYS16 4.7 15.0 1.0 SG A:CYS8 4.7 10.6 1.0 N A:ALA51 4.7 14.8 1.0 CD2 A:TYR13 4.8 13.1 1.0 CB A:TYR13 4.8 11.5 1.0 CD1 A:ILE54 4.9 9.8 1.0 CB A:CYS8 4.9 10.6 1.0 CB A:CYS16 5.0 13.1 1.0 N A:TYR13 5.0 12.4 1.0 N A:CYS49 5.0 15.9 1.0

C.D.Stout, C.D.Stout. N/A N/A.
ISSN: ISSN 0021-9258
PubMed: 8245025