Iron in PDB 1frl: 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: 1frl 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 (°)	55.200, 55.200, 95.100, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 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 1frl). 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: 1frl:
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:22.6 occ:1.00 FE1 A:SF4107 0.0 22.6 1.0 S2 A:SF4107 2.2 24.4 1.0 S4 A:SF4107 2.3 22.1 1.0 SG A:CYS39 2.3 19.0 1.0 S3 A:SF4107 2.3 22.9 1.0 FE3 A:SF4107 2.5 23.8 1.0 FE4 A:SF4107 2.7 28.3 1.0 FE2 A:SF4107 2.7 25.5 1.0 CB A:CYS39 3.4 18.2 1.0 S1 A:SF4107 3.8 23.6 1.0 CA A:CYS39 3.9 20.1 1.0 SG A:CYS24 3.9 27.9 1.0 N A:ASP41 4.1 19.5 1.0 N A:ILE40 4.1 19.7 1.0 C A:CYS39 4.4 20.7 1.0 CB A:PHE2 4.5 13.8 1.0 CG2 A:ILE34 4.6 11.2 1.0 SG A:CYS45 4.6 22.0 1.0 CA A:ASP41 4.6 20.2 1.0 SG A:CYS20 4.8 24.8 1.0 N A:CYS42 4.8 19.5 1.0 SG A:CYS42 4.8 23.8 1.0 CD1 A:PHE2 4.9 12.9 1.0 N A:PHE2 4.9 17.0 1.0 CG A:PHE2 5.0 15.7 1.0 C A:ILE40 5.0 20.7 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:25.5 occ:1.00 FE2 A:SF4107 0.0 25.5 1.0 S1 A:SF4107 2.2 23.6 1.0 S3 A:SF4107 2.3 22.9 1.0 SG A:CYS42 2.3 23.8 1.0 S4 A:SF4107 2.3 22.1 1.0 FE4 A:SF4107 2.6 28.3 1.0 FE3 A:SF4107 2.6 23.8 1.0 FE1 A:SF4107 2.7 22.6 1.0 CB A:CYS42 3.6 17.9 1.0 N A:CYS42 3.8 19.5 1.0 S2 A:SF4107 3.8 24.4 1.0 N A:ALA43 4.0 23.3 1.0 CA A:CYS42 4.1 19.4 1.0 CD A:PRO21 4.2 22.3 1.0 N A:LEU44 4.3 20.8 1.0 C A:CYS42 4.3 21.6 1.0 SG A:CYS45 4.5 22.0 1.0 SG A:CYS20 4.6 24.8 1.0 SG A:CYS39 4.6 19.0 1.0 N A:ASP41 4.7 19.5 1.0 C A:ASP41 4.8 19.4 1.0 CA A:ALA43 4.8 21.4 1.0 CG A:PRO21 4.8 20.7 1.0 CG1 A:ILE40 4.8 20.4 1.0 N A:CYS45 4.9 22.2 1.0 C A:ALA43 5.0 20.9 1.0 CA A:CYS20 5.0 26.6 1.0 CB A:LEU44 5.0 19.5 1.0 CA A:ASP41 5.0 20.2 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:23.8 occ:1.00 FE3 A:SF4107 0.0 23.8 1.0 S4 A:SF4107 2.2 22.1 1.0 S1 A:SF4107 2.3 23.6 1.0 S2 A:SF4107 2.3 24.4 1.0 SG A:CYS45 2.3 22.0 1.0 FE1 A:SF4107 2.5 22.6 1.0 FE2 A:SF4107 2.6 25.5 1.0 FE4 A:SF4107 2.7 28.3 1.0 CB A:CYS45 3.4 21.1 1.0 S3 A:SF4107 3.8 22.9 1.0 N A:CYS45 4.1 22.2 1.0 CA A:CYS45 4.4 21.6 1.0 CE1 A:PHE25 4.5 18.1 1.0 CZ A:PHE25 4.5 19.5 1.0 CD1 A:ILE34 4.5 11.7 1.0 CB A:PHE2 4.5 13.8 1.0 SG A:CYS39 4.6 19.0 1.0 SG A:CYS42 4.6 23.8 1.0 SG A:CYS20 4.8 24.8 1.0 CG A:PHE2 4.8 15.7 1.0 N A:LEU44 4.9 20.8 1.0 N A:ALA43 5.0 23.3 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:28.3 occ:1.00 FE4 A:SF4107 0.0 28.3 1.0 S3 A:SF4107 2.2 22.9 1.0 S2 A:SF4107 2.3 24.4 1.0 SG A:CYS20 2.3 24.8 1.0 S1 A:SF4107 2.3 23.6 1.0 FE2 A:SF4107 2.6 25.5 1.0 FE1 A:SF4107 2.7 22.6 1.0 FE3 A:SF4107 2.7 23.8 1.0 SG A:CYS24 3.3 27.9 1.0 CB A:CYS20 3.4 23.5 1.0 CA A:CYS20 3.8 26.6 1.0 S4 A:SF4107 3.9 22.1 1.0 CE1 A:PHE25 4.3 18.1 1.0 CG2 A:VAL22 4.3 21.7 1.0 CD A:PRO21 4.4 22.3 1.0 C A:CYS20 4.6 26.0 1.0 SG A:CYS42 4.6 23.8 1.0 N A:PRO21 4.7 23.4 1.0 SG A:CYS45 4.8 22.0 1.0 SG A:CYS39 4.8 19.0 1.0 N A:CYS20 5.0 27.0 1.0 CD1 A:PHE25 5.0 18.9 1.0 N A:VAL22 5.0 25.0 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:18.7 occ:1.00 FE1 A:F3S108 0.0 18.7 1.0 S2 A:F3S108 2.2 19.5 1.0 S3 A:F3S108 2.3 18.7 1.0 SG A:CYS16 2.3 18.5 1.0 S1 A:F3S108 2.3 19.1 1.0 FE4 A:F3S108 2.6 18.0 1.0 FE3 A:F3S108 2.6 16.3 1.0 CB A:CYS16 3.4 16.5 1.0 S4 A:F3S108 3.9 17.7 1.0 N A:THR14 4.1 20.3 1.0 CA A:THR14 4.2 20.1 1.0 N A:CYS16 4.2 21.3 1.0 CD2 A:LEU32 4.4 17.6 1.0 CA A:CYS16 4.4 19.1 1.0 C A:THR14 4.5 19.8 1.0 SG A:CYS49 4.6 16.9 1.0 CD1 A:ILE54 4.6 14.9 1.0 SG A:CYS8 4.7 17.0 1.0 N A:ASP15 4.7 21.4 1.0 CB A:LEU32 4.9 18.0 1.0 CE2 A:PHE25 4.9 20.2 1.0 N A:TYR13 5.0 17.7 1.0

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:16.3 occ:1.00 FE3 A:F3S108 0.0 16.3 1.0 S3 A:F3S108 2.2 18.7 1.0 S4 A:F3S108 2.3 17.7 1.0 SG A:CYS8 2.3 17.0 1.0 S1 A:F3S108 2.3 19.1 1.0 FE4 A:F3S108 2.5 18.0 1.0 FE1 A:F3S108 2.6 18.7 1.0 CB A:CYS8 3.2 13.6 1.0 S2 A:F3S108 3.8 19.5 1.0 CA A:CYS8 3.9 14.9 1.0 CA A:LYS12 4.2 14.8 1.0 N A:TYR13 4.3 17.7 1.0 CG1 A:VAL4 4.5 7.1 1.0 SG A:CYS49 4.5 16.9 1.0 N A:LYS12 4.5 15.6 1.0 O A:CYS8 4.7 16.0 1.0 C A:LYS12 4.7 17.4 1.0 CB A:LEU32 4.7 18.0 1.0 C A:CYS8 4.7 15.3 1.0 SG A:CYS16 4.8 18.5 1.0 N A:THR14 4.9 20.3 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:18.0 occ:1.00 FE4 A:F3S108 0.0 18.0 1.0 S3 A:F3S108 2.2 18.7 1.0 S4 A:F3S108 2.2 17.7 1.0 SG A:CYS49 2.3 16.9 1.0 S2 A:F3S108 2.3 19.5 1.0 FE3 A:F3S108 2.5 16.3 1.0 FE1 A:F3S108 2.6 18.7 1.0 CB A:CYS49 3.4 17.3 1.0 S1 A:F3S108 3.8 19.1 1.0 CA A:CYS49 3.9 18.9 1.0 CD A:PRO50 4.5 14.0 1.0 SG A:CYS8 4.6 17.0 1.0 C A:CYS49 4.6 16.4 1.0 CB A:ALA51 4.6 15.4 1.0 SG A:CYS16 4.7 18.5 1.0 CB A:ALA53 4.7 10.6 1.0 CD2 A:TYR13 4.7 19.1 1.0 N A:PRO50 4.8 16.8 1.0 CB A:CYS8 4.8 13.6 1.0 N A:ALA51 4.8 18.4 1.0 CB A:TYR13 4.9 17.5 1.0 N A:TYR13 4.9 17.7 1.0 CG1 A:ILE54 4.9 15.8 1.0 CD1 A:ILE54 5.0 14.9 1.0 CB A:CYS16 5.0 16.5 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