Iron in PDB 1frj: Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential

The structure of Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential, PDB code: 1frj 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 / 2.30
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.470, 55.470, 95.840, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / n/a

The binding sites of Iron atom in the Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential (pdb code 1frj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential, PDB code: 1frj:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in the Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:15.0 occ:1.00 FE1 A:SF4107 0.0 15.0 1.0 S2 A:SF4107 2.3 16.3 1.0 SG A:CYS39 2.3 11.9 1.0 S4 A:SF4107 2.3 14.2 1.0 S3 A:SF4107 2.3 13.2 1.0 FE3 A:SF4107 2.6 17.9 1.0 FE4 A:SF4107 2.7 16.0 1.0 FE2 A:SF4107 2.7 16.6 1.0 CB A:CYS39 3.4 13.6 1.0 S1 A:SF4107 3.8 15.6 1.0 CA A:CYS39 3.9 15.3 1.0 SG A:CYS24 4.0 12.8 1.0 N A:ILE40 4.1 16.1 1.0 N A:ASP41 4.2 16.0 1.0 C A:CYS39 4.4 15.7 1.0 CB A:PHE2 4.5 9.6 1.0 CG2 A:ILE34 4.5 3.1 1.0 SG A:CYS45 4.7 15.4 1.0 CA A:ASP41 4.7 16.0 1.0 SG A:CYS20 4.8 15.3 1.0 N A:CYS42 4.8 14.8 1.0 CD1 A:PHE2 4.8 9.4 1.0 SG A:CYS42 4.9 15.0 1.0 CG A:PHE2 4.9 9.6 1.0 N A:PHE2 5.0 11.7 1.0

Iron binding site 2 out of 7 in the Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:16.6 occ:1.00 FE2 A:SF4107 0.0 16.6 1.0 SG A:CYS42 2.3 15.0 1.0 S1 A:SF4107 2.3 15.6 1.0 S3 A:SF4107 2.3 13.2 1.0 S4 A:SF4107 2.3 14.2 1.0 FE4 A:SF4107 2.6 16.0 1.0 FE1 A:SF4107 2.7 15.0 1.0 FE3 A:SF4107 2.7 17.9 1.0 CB A:CYS42 3.5 13.0 1.0 N A:CYS42 3.7 14.8 1.0 S2 A:SF4107 3.8 16.3 1.0 N A:ALA43 4.0 14.9 1.0 CA A:CYS42 4.1 14.3 1.0 CD A:PRO21 4.2 15.3 1.0 C A:CYS42 4.3 14.9 1.0 N A:LEU44 4.4 15.4 1.0 SG A:CYS39 4.6 11.9 1.0 SG A:CYS45 4.6 15.4 1.0 SG A:CYS20 4.7 15.3 1.0 CG1 A:ILE40 4.7 15.4 1.0 N A:ASP41 4.7 16.0 1.0 C A:ASP41 4.7 15.4 1.0 CG A:PRO21 4.8 14.3 1.0 CA A:ALA43 4.8 15.1 1.0 CA A:ASP41 5.0 16.0 1.0 CB A:LEU44 5.0 15.4 1.0

Iron binding site 3 out of 7 in the Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:17.9 occ:1.00 FE3 A:SF4107 0.0 17.9 1.0 S2 A:SF4107 2.2 16.3 1.0 SG A:CYS45 2.3 15.4 1.0 S1 A:SF4107 2.3 15.6 1.0 S4 A:SF4107 2.3 14.2 1.0 FE1 A:SF4107 2.6 15.0 1.0 FE2 A:SF4107 2.7 16.6 1.0 FE4 A:SF4107 2.7 16.0 1.0 CB A:CYS45 3.3 17.0 1.0 S3 A:SF4107 3.9 13.2 1.0 N A:CYS45 4.1 17.2 1.0 CA A:CYS45 4.3 16.3 1.0 CB A:PHE2 4.4 9.6 1.0 CD1 A:ILE34 4.5 2.9 1.0 SG A:CYS39 4.6 11.9 1.0 SG A:CYS42 4.6 15.0 1.0 CG A:PHE2 4.6 9.6 1.0 SG A:CYS20 4.8 15.3 1.0 N A:LEU44 4.9 15.4 1.0 N A:ALA43 4.9 14.9 1.0

Iron binding site 4 out of 7 in the Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:16.0 occ:1.00 FE4 A:SF4107 0.0 16.0 1.0 S2 A:SF4107 2.3 16.3 1.0 S1 A:SF4107 2.3 15.6 1.0 SG A:CYS20 2.3 15.3 1.0 S3 A:SF4107 2.3 13.2 1.0 FE2 A:SF4107 2.6 16.6 1.0 FE1 A:SF4107 2.7 15.0 1.0 FE3 A:SF4107 2.7 17.9 1.0 CB A:CYS20 3.4 16.4 1.0 SG A:CYS24 3.6 12.8 1.0 CA A:CYS20 3.8 18.2 1.0 S4 A:SF4107 3.9 14.2 1.0 CD A:PRO21 4.3 15.3 1.0 CG2 A:VAL22 4.4 11.2 1.0 C A:CYS20 4.5 18.3 1.0 SG A:CYS42 4.6 15.0 1.0 N A:PRO21 4.6 16.6 1.0 SG A:CYS45 4.8 15.4 1.0 CD1 A:ILE25 4.8 12.5 1.0 SG A:CYS39 4.9 11.9 1.0 N A:CYS20 4.9 19.3 1.0

Iron binding site 5 out of 7 in the Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:17.1 occ:1.00 FE1 A:F3S108 0.0 17.1 1.0 S3 A:F3S108 2.3 13.8 1.0 S2 A:F3S108 2.3 13.2 1.0 SG A:CYS16 2.3 16.1 1.0 S1 A:F3S108 2.3 14.9 1.0 FE4 A:F3S108 2.6 16.2 1.0 FE3 A:F3S108 2.7 15.5 1.0 CB A:CYS16 3.3 16.9 1.0 CD1 A:LEU32 3.4 29.9 0.5 CG A:LEU32 3.9 25.6 0.5 S4 A:F3S108 4.0 12.9 1.0 N A:CYS16 4.0 18.9 1.0 CD2 A:LEU32 4.1 14.1 0.5 CA A:THR14 4.2 16.4 1.0 N A:THR14 4.2 14.6 1.0 CD2 A:LEU32 4.2 30.2 0.5 CA A:CYS16 4.3 18.1 1.0 CD1 A:ILE54 4.5 11.0 1.0 C A:THR14 4.5 16.1 1.0 N A:ASP15 4.6 18.7 1.0 SG A:CYS49 4.7 13.3 1.0 SG A:CYS8 4.7 13.7 1.0 CB A:LEU32 4.9 12.3 0.5

Iron binding site 6 out of 7 in the Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:15.5 occ:1.00 FE3 A:F3S108 0.0 15.5 1.0 S3 A:F3S108 2.3 13.8 1.0 S4 A:F3S108 2.3 12.9 1.0 SG A:CYS8 2.3 13.7 1.0 S1 A:F3S108 2.3 14.9 1.0 FE4 A:F3S108 2.5 16.2 1.0 FE1 A:F3S108 2.7 17.1 1.0 CD1 A:LEU32 2.9 29.9 0.5 CB A:CYS8 3.2 12.5 1.0 S2 A:F3S108 3.8 13.2 1.0 CA A:CYS8 3.9 13.7 1.0 CA A:LYS12 4.1 12.2 1.0 CG A:LEU32 4.2 25.6 0.5 CG1 A:VAL4 4.4 2.0 1.0 N A:TYR13 4.4 11.9 1.0 N A:LYS12 4.5 13.4 1.0 CB A:LEU32 4.6 12.3 0.5 SG A:CYS49 4.6 13.3 1.0 O A:CYS8 4.6 13.7 1.0 C A:LYS12 4.7 11.8 1.0 C A:CYS8 4.7 13.6 1.0 SG A:CYS16 4.8 16.1 1.0 CD2 A:LEU32 4.9 30.2 0.5 CD2 A:LEU32 4.9 14.1 0.5 N A:THR14 4.9 14.6 1.0

Iron binding site 7 out of 7 in the Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Azotobacter Vinelandii Ferredoxin I: Alteration of Individual Surface Charges and the [4FE-4S] Cluster Reduction Potential within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:16.2 occ:1.00 FE4 A:F3S108 0.0 16.2 1.0 S3 A:F3S108 2.3 13.8 1.0 S4 A:F3S108 2.3 12.9 1.0 S2 A:F3S108 2.3 13.2 1.0 SG A:CYS49 2.3 13.3 1.0 FE3 A:F3S108 2.5 15.5 1.0 FE1 A:F3S108 2.6 17.1 1.0 CB A:CYS49 3.3 14.4 1.0 S1 A:F3S108 3.8 14.9 1.0 CA A:CYS49 3.8 17.0 1.0 CD A:PRO50 4.3 14.2 1.0 C A:CYS49 4.5 16.3 1.0 N A:PRO50 4.6 15.4 1.0 SG A:CYS8 4.6 13.7 1.0 CB A:ALA51 4.6 13.3 1.0 CB A:ALA53 4.6 12.3 1.0 N A:ALA51 4.7 14.8 1.0 SG A:CYS16 4.7 16.1 1.0 CB A:CYS8 4.8 12.5 1.0 CD2 A:TYR13 4.9 11.2 1.0 CD1 A:ILE54 4.9 11.0 1.0 CD1 A:LEU32 4.9 29.9 0.5 CG1 A:ILE54 4.9 11.7 1.0 CB A:TYR13 5.0 11.3 1.0

B.Shen, D.R.Jollie, C.D.Stout, T.C.Diller, F.A.Armstrong, C.M.Gorst, G.N.La Mar, P.J.Stephens, B.K.Burgess. Azotobacter Vinelandii Ferredoxin I. Alteration of Individual Surface Charges and the [4FE-4S]2+/+ Cluster Reduction Potential. J.Biol.Chem. V. 269 8564 1994.
ISSN: ISSN 0021-9258
PubMed: 8132582