Iron in PDB 1f5b: Crystal Structure of F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution

The structure of Crystal Structure of F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution, PDB code: 1f5b was solved by K.Chen, C.A.Bonagura, G.J.Tilley, Y.S.Jung, F.A.Armstrong, C.D.Stout, B.K.Burgess, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.16 / 1.62
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.381, 55.381, 92.780, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.4

The binding sites of Iron atom in the Crystal Structure of F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution (pdb code 1f5b). 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 Structure of F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution, PDB code: 1f5b:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in the Crystal Structure of F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution


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 F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:18.1 occ:1.00 FE1 A:F3S200 0.0 18.1 1.0 S1 A:F3S200 2.3 17.1 1.0 SG A:CYS16 2.3 18.1 1.0 S2 A:F3S200 2.3 17.8 1.0 S3 A:F3S200 2.3 17.1 1.0 FE4 A:F3S200 2.7 18.4 1.0 FE3 A:F3S200 2.7 17.2 1.0 CB A:CYS16 3.3 19.9 1.0 N A:THR14 3.9 20.6 1.0 S4 A:F3S200 3.9 17.4 1.0 CA A:THR14 4.0 21.0 1.0 N A:CYS16 4.0 21.4 1.0 CD1 A:LEU32 4.3 17.9 1.0 CA A:CYS16 4.3 20.8 1.0 C A:THR14 4.4 21.4 1.0 N A:ASP15 4.4 21.8 1.0 SG A:CYS49 4.7 17.8 1.0 CG A:LEU32 4.7 18.1 1.0 CD1 A:ILE54 4.8 17.5 1.0 SG A:CYS8 4.8 15.9 1.0 CB A:LEU32 4.9 17.3 1.0 CB A:CYS49 4.9 19.1 1.0 N A:TYR13 5.0 19.2 1.0

Iron binding site 2 out of 7 in the Crystal Structure of F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution


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 F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:17.2 occ:1.00 FE3 A:F3S200 0.0 17.2 1.0 S1 A:F3S200 2.3 17.1 1.0 S3 A:F3S200 2.3 17.1 1.0 SG A:CYS8 2.3 15.9 1.0 S4 A:F3S200 2.3 17.4 1.0 FE4 A:F3S200 2.6 18.4 1.0 FE1 A:F3S200 2.7 18.1 1.0 CB A:CYS8 3.2 16.2 1.0 S2 A:F3S200 3.9 17.8 1.0 CA A:CYS8 4.0 16.2 1.0 CA A:LYS12 4.1 18.6 1.0 N A:TYR13 4.4 19.2 1.0 CG1 A:VAL4 4.4 14.7 1.0 N A:LYS12 4.5 18.4 1.0 O A:CYS8 4.5 16.1 1.0 CB A:LEU32 4.6 17.3 1.0 C A:LYS12 4.6 19.0 1.0 SG A:CYS49 4.6 17.8 1.0 C A:CYS8 4.7 16.3 1.0 CG A:LEU32 4.7 18.1 1.0 SG A:CYS16 4.8 18.1 1.0 N A:THR14 4.8 20.6 1.0

Iron binding site 3 out of 7 in the Crystal Structure of F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution


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 F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:18.4 occ:1.00 FE4 A:F3S200 0.0 18.4 1.0 S4 A:F3S200 2.3 17.4 1.0 SG A:CYS49 2.3 17.8 1.0 S2 A:F3S200 2.3 17.8 1.0 S3 A:F3S200 2.3 17.1 1.0 FE3 A:F3S200 2.6 17.2 1.0 FE1 A:F3S200 2.7 18.1 1.0 CB A:CYS49 3.3 19.1 1.0 S1 A:F3S200 3.8 17.1 1.0 CA A:CYS49 3.9 19.6 1.0 CB A:ALA51 4.5 19.6 1.0 C A:CYS49 4.6 19.6 1.0 CD A:PRO50 4.6 19.5 1.0 SG A:CYS8 4.7 15.9 1.0 SG A:CYS16 4.7 18.1 1.0 CD2 A:TYR13 4.7 20.0 1.0 N A:ALA51 4.7 19.6 1.0 N A:PRO50 4.7 19.6 1.0 CB A:TYR13 4.8 19.9 1.0 CB A:CYS8 4.8 16.2 1.0 N A:TYR13 4.9 19.2 1.0 CB A:ALA53 4.9 18.6 1.0 CD1 A:ILE54 4.9 17.5 1.0 CB A:CYS16 4.9 19.9 1.0 CG1 A:ILE54 5.0 17.5 1.0

Iron binding site 4 out of 7 in the Crystal Structure of F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution


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 F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:18.7 occ:1.00 FE1 A:SF4201 0.0 18.7 1.0 SG A:CYS39 2.3 18.8 1.0 S4 A:SF4201 2.3 18.3 1.0 S3 A:SF4201 2.3 18.5 1.0 S2 A:SF4201 2.3 17.9 1.0 FE3 A:SF4201 2.7 18.6 1.0 FE2 A:SF4201 2.7 18.8 1.0 FE4 A:SF4201 2.7 19.0 1.0 CB A:CYS39 3.4 19.8 1.0 CA A:CYS39 3.9 20.3 1.0 SG A:CYS24 3.9 19.1 1.0 S1 A:SF4201 3.9 18.4 1.0 N A:ASP41 4.0 20.0 1.0 N A:ILE40 4.0 20.1 1.0 C A:CYS39 4.3 20.4 1.0 CA A:ASP41 4.4 20.1 1.0 CB A:HIS2 4.5 17.3 1.0 CG2 A:ILE34 4.6 16.4 1.0 N A:CYS42 4.6 19.7 1.0 SG A:CYS45 4.8 18.3 1.0 SG A:CYS20 4.8 19.6 1.0 CG A:HIS2 4.9 17.6 1.0 ND1 A:HIS2 4.9 17.7 1.0 SG A:CYS42 4.9 18.4 1.0 C A:ILE40 5.0 20.1 1.0 N A:HIS2 5.0 17.4 1.0

Iron binding site 5 out of 7 in the Crystal Structure of F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution


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 F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:18.8 occ:1.00 FE2 A:SF4201 0.0 18.8 1.0 S3 A:SF4201 2.3 18.5 1.0 SG A:CYS42 2.3 18.4 1.0 S4 A:SF4201 2.3 18.3 1.0 S1 A:SF4201 2.3 18.4 1.0 FE3 A:SF4201 2.7 18.6 1.0 FE4 A:SF4201 2.7 19.0 1.0 FE1 A:SF4201 2.7 18.7 1.0 N A:CYS42 3.5 19.7 1.0 CB A:CYS42 3.6 19.2 1.0 N A:ALA43 3.8 19.7 1.0 S2 A:SF4201 3.9 17.9 1.0 CA A:CYS42 3.9 19.5 1.0 C A:CYS42 4.2 19.7 1.0 CD A:PRO21 4.2 21.3 1.0 N A:LEU44 4.3 19.8 1.0 C A:ASP41 4.5 19.9 1.0 N A:ASP41 4.6 20.0 1.0 SG A:CYS45 4.6 18.3 1.0 CA A:ALA43 4.6 19.7 1.0 SG A:CYS20 4.7 19.6 1.0 SG A:CYS39 4.7 18.8 1.0 CG A:PRO21 4.7 21.8 1.0 CG1 A:ILE40 4.7 19.9 1.0 CA A:ASP41 4.7 20.1 1.0 N A:CYS45 4.9 20.0 1.0 C A:ALA43 4.9 19.8 1.0

Iron binding site 6 out of 7 in the Crystal Structure of F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution


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 F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:18.6 occ:1.00 FE3 A:SF4201 0.0 18.6 1.0 S4 A:SF4201 2.3 18.3 1.0 SG A:CYS45 2.3 18.3 1.0 S2 A:SF4201 2.3 17.9 1.0 S1 A:SF4201 2.3 18.4 1.0 FE2 A:SF4201 2.7 18.8 1.0 FE1 A:SF4201 2.7 18.7 1.0 FE4 A:SF4201 2.7 19.0 1.0 CB A:CYS45 3.3 19.4 1.0 S3 A:SF4201 3.9 18.5 1.0 N A:CYS45 4.1 20.0 1.0 CA A:CYS45 4.3 20.0 1.0 CZ A:PHE25 4.3 18.4 1.0 CE2 A:PHE25 4.4 18.4 1.0 CD1 A:ILE34 4.6 16.4 1.0 CB A:HIS2 4.6 17.3 1.0 SG A:CYS42 4.6 18.4 1.0 SG A:CYS39 4.7 18.8 1.0 CG A:HIS2 4.8 17.6 1.0 SG A:CYS20 4.8 19.6 1.0 N A:ALA43 4.8 19.7 1.0 N A:LEU44 4.9 19.8 1.0 CA A:ALA43 5.0 19.7 1.0

Iron binding site 7 out of 7 in the Crystal Structure of F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution


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 F2H Ferredoxin 1 Mutant From Azotobacter Vinelandii at 1.75 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:19.0 occ:1.00 FE4 A:SF4201 0.0 19.0 1.0 S1 A:SF4201 2.3 18.4 1.0 SG A:CYS20 2.3 19.6 1.0 S3 A:SF4201 2.3 18.5 1.0 S2 A:SF4201 2.3 17.9 1.0 FE2 A:SF4201 2.7 18.8 1.0 FE1 A:SF4201 2.7 18.7 1.0 FE3 A:SF4201 2.7 18.6 1.0 CB A:CYS20 3.4 20.3 1.0 SG A:CYS24 3.5 19.1 1.0 CA A:CYS20 3.8 21.0 1.0 S4 A:SF4201 3.9 18.3 1.0 CE2 A:PHE25 4.1 18.4 1.0 CD A:PRO21 4.3 21.3 1.0 CG2 A:VAL22 4.5 21.4 1.0 SG A:CYS42 4.6 18.4 1.0 C A:CYS20 4.6 21.1 1.0 CD2 A:PHE25 4.7 18.4 1.0 N A:PRO21 4.7 21.3 1.0 SG A:CYS45 4.8 18.3 1.0 CZ A:PHE25 4.8 18.4 1.0 SG A:CYS39 4.9 18.8 1.0 N A:CYS20 5.0 21.3 1.0

K.Chen, C.A.Bonagura, G.J.Tilley, J.P.Mcevoy, Y.S.Jung, F.A.Armstrong, C.D.Stout, B.K.Burgess. Crystal Structures of Ferredoxin Variants Exhibiting Large Changes in [Fe-S] Reduction Potential. Nat.Struct.Biol. V. 9 188 2002.
ISSN: ISSN 1072-8368
PubMed: 11875515