Iron in PDB 1oqq: Crystal Structure of C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A Resolution

The structure of Crystal Structure of C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A Resolution, PDB code: 1oqq was solved by I.F.Sevrioukova, C.Garcia, H.Li, B.Bhaskar, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.08 / 1.47
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	50.212, 75.845, 107.730, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 21.8

The binding sites of Iron atom in the Crystal Structure of C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A Resolution (pdb code 1oqq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A Resolution, PDB code: 1oqq:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A 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 C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:18.6 occ:1.00 FE1 A:FES107 0.0 18.6 1.0 S1 A:FES107 2.2 18.4 1.0 S2 A:FES107 2.2 17.1 1.0 SG A:CYS45 2.3 20.8 1.0 SG A:CYS39 2.3 19.4 1.0 FE2 A:FES107 2.7 17.5 1.0 CB A:CYS39 3.5 20.8 1.0 CB A:CYS45 3.5 22.0 1.0 N A:CYS45 3.6 22.4 1.0 N A:CYS39 3.8 22.3 1.0 CA A:CYS45 3.9 22.4 1.0 O A:CYS45 4.0 22.8 0.5 C A:CYS45 4.0 22.7 1.0 CA A:CYS39 4.1 21.2 1.0 N A:SER44 4.1 22.1 1.0 N A:GLY41 4.2 19.5 1.0 SG A:CYS86 4.5 16.1 1.0 N A:ALA43 4.5 20.9 1.0 SG A:CYS48 4.5 17.9 1.0 N A:GLY40 4.5 20.5 1.0 CA A:GLY41 4.6 19.5 1.0 C A:SER44 4.6 22.5 1.0 N A:ASP38 4.6 24.7 1.0 C A:CYS39 4.6 20.9 1.0 N A:SER42 4.7 19.7 1.0 N A:ALA46 4.7 23.0 1.0 CA A:ALA43 4.7 21.5 1.0 CA A:GLY37 4.8 25.9 1.0 C A:GLY37 4.8 25.3 1.0 OG1 A:THR47 4.8 22.6 1.0 CA A:SER44 4.9 22.4 1.0 C A:ALA43 4.9 21.8 1.0 C A:ASP38 4.9 23.2 1.0 C A:GLY41 5.0 19.5 1.0

Iron binding site 2 out of 4 in the Crystal Structure of C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A 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 C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:17.5 occ:1.00 FE2 A:FES107 0.0 17.5 1.0 S1 A:FES107 2.2 18.4 1.0 S2 A:FES107 2.2 17.1 1.0 SG A:CYS48 2.3 17.9 1.0 SG A:CYS86 2.3 16.1 1.0 FE1 A:FES107 2.7 18.6 1.0 CB A:CYS86 3.2 15.6 1.0 CB A:CYS48 3.4 19.6 1.0 N A:CYS86 4.2 15.8 1.0 CA A:CYS86 4.3 15.7 1.0 CA A:GLY41 4.4 19.5 1.0 CB A:LEU84 4.4 18.8 1.0 SG A:CYS45 4.4 20.8 1.0 SG A:CYS39 4.5 19.4 1.0 N A:ALA43 4.6 20.9 1.0 CA A:CYS48 4.6 20.2 1.0 N A:CYS48 4.6 20.9 1.0 O A:CYS45 4.7 22.8 0.5 N A:GLY41 4.8 19.5 1.0 CA A:ALA43 4.8 21.5 1.0 C A:GLY41 4.9 19.5 1.0 CD1 A:LEU84 4.9 19.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure of C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A 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 C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe107 b:13.6 occ:1.00 FE1 B:FES107 0.0 13.6 1.0 S1 B:FES107 2.2 13.4 1.0 S2 B:FES107 2.3 12.9 1.0 SG B:CYS39 2.3 13.8 1.0 SG B:CYS45 2.3 13.8 1.0 FE2 B:FES107 2.7 13.2 1.0 CB B:CYS39 3.4 15.0 1.0 CB B:CYS45 3.5 15.3 1.0 N B:CYS45 3.6 15.7 1.0 N B:CYS39 3.8 15.4 1.0 CA B:CYS45 4.0 15.6 1.0 CA B:CYS39 4.1 15.3 1.0 N B:SER44 4.1 16.2 1.0 C B:CYS45 4.1 15.6 1.0 O B:CYS45 4.2 16.2 1.0 N B:GLY41 4.3 16.0 1.0 SG B:CYS86 4.5 13.0 1.0 N B:ALA43 4.5 16.6 1.0 C B:SER44 4.5 16.0 1.0 SG B:CYS48 4.5 12.6 1.0 C B:CYS39 4.6 15.5 1.0 N B:GLY40 4.6 15.6 1.0 CA B:GLY41 4.7 16.1 1.0 N B:SER42 4.7 16.4 1.0 C B:GLY37 4.7 15.4 1.0 CA B:ALA43 4.7 16.4 1.0 N B:ALA46 4.7 15.8 1.0 N B:ASP38 4.7 15.4 1.0 OG1 B:THR47 4.8 13.5 1.0 CA B:GLY37 4.8 15.2 1.0 CA B:SER44 4.8 16.2 1.0 C B:ALA43 4.9 16.2 1.0 C B:ASP38 4.9 15.7 1.0 N B:THR47 4.9 14.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A 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 C73S/C85S Mutant of Putidaredoxin, A [2FE-2S] Ferredoxin From Pseudomonas Putida, at 1.47A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe107 b:13.2 occ:1.00 FE2 B:FES107 0.0 13.2 1.0 S1 B:FES107 2.2 13.4 1.0 S2 B:FES107 2.2 12.9 1.0 SG B:CYS48 2.3 12.6 1.0 SG B:CYS86 2.3 13.0 1.0 FE1 B:FES107 2.7 13.6 1.0 CB B:CYS86 3.1 13.5 1.0 CB B:CYS48 3.4 12.5 1.0 N B:CYS86 4.2 13.2 1.0 CA B:CYS86 4.3 13.5 1.0 CA B:GLY41 4.4 16.1 1.0 CB B:LEU84 4.4 13.7 1.0 SG B:CYS39 4.4 13.8 1.0 SG B:CYS45 4.5 13.8 1.0 CD2 B:LEU84 4.6 14.2 1.0 CA B:CYS48 4.6 12.8 1.0 N B:ALA43 4.6 16.6 1.0 N B:CYS48 4.6 13.1 1.0 N B:GLY41 4.7 16.0 1.0 CA B:ALA43 4.8 16.4 1.0 CG B:MET24 4.8 14.0 1.0 CG B:LEU84 4.9 14.0 1.0 CD1 B:LEU84 4.9 14.3 1.0 C B:GLY41 4.9 16.2 1.0 O B:CYS45 5.0 16.2 1.0

I.F.Sevrioukova, C.Garcia, H.Li, B.Bhaskar, T.L.Poulos. Crystal Structure of Putidaredoxin, the [2FE-2S] Component of the P450CAM Monooxygenase System From Pseudomonas Putida J.Mol.Biol. V. 333 377 2003.
ISSN: ISSN 0022-2836
PubMed: 14529624
DOI: 10.1016/J.JMB.2003.08.028