Iron in PDB 1oqr: Crystal Structure of C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A Resolution

The structure of Crystal Structure of C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A Resolution, PDB code: 1oqr 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)	27.65 / 1.65
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.219, 66.219, 152.131, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 25.7

The binding sites of Iron atom in the Crystal Structure of C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A Resolution (pdb code 1oqr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Crystal Structure of C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A Resolution, PDB code: 1oqr:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Crystal Structure of C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A 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 Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:18.2 occ:1.00 FE1 A:FES107 0.0 18.2 1.0 S1 A:FES107 2.2 18.3 1.0 S2 A:FES107 2.3 18.2 1.0 SG A:CYS39 2.3 18.8 1.0 SG A:CYS45 2.3 18.8 1.0 FE2 A:FES107 2.7 18.2 1.0 CB A:CYS39 3.4 19.4 1.0 CB A:CYS45 3.6 19.4 1.0 N A:CYS45 3.6 19.7 1.0 N A:CYS39 3.7 19.7 1.0 CA A:CYS45 4.0 19.5 1.0 CA A:CYS39 4.0 19.6 1.0 N A:SER44 4.1 20.0 1.0 N A:GLY41 4.2 19.8 1.0 N A:ALA46 4.3 19.5 1.0 SG A:CYS86 4.4 18.8 1.0 C A:SER44 4.5 19.8 1.0 N A:GLY40 4.5 19.6 1.0 C A:CYS39 4.5 19.6 1.0 N A:ALA43 4.6 20.1 1.0 SG A:CYS48 4.6 18.5 1.0 C A:CYS45 4.6 19.5 1.0 OG1 A:THR47 4.6 19.2 1.0 CA A:GLY41 4.7 19.9 1.0 C A:GLY37 4.7 20.0 1.0 N A:ASP38 4.7 20.0 1.0 N A:SER42 4.7 20.0 1.0 CA A:ALA43 4.8 20.0 1.0 CA A:GLY37 4.8 20.1 1.0 CA A:SER44 4.8 19.9 1.0 N A:THR47 4.8 19.3 1.0 C A:ASP38 4.9 19.8 1.0 C A:ALA43 4.9 20.0 1.0

Iron binding site 2 out of 6 in the Crystal Structure of C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A 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 Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:18.2 occ:1.00 FE2 A:FES107 0.0 18.2 1.0 S1 A:FES107 2.2 18.3 1.0 S2 A:FES107 2.3 18.2 1.0 SG A:CYS48 2.3 18.5 1.0 SG A:CYS86 2.3 18.8 1.0 FE1 A:FES107 2.7 18.2 1.0 CB A:CYS86 3.1 19.4 1.0 CB A:CYS48 3.5 19.0 1.0 N A:CYS86 4.2 19.6 1.0 CB A:LEU84 4.3 20.0 1.0 CA A:CYS86 4.3 19.6 1.0 CA A:GLY41 4.4 19.9 1.0 SG A:CYS39 4.5 18.8 1.0 SG A:CYS45 4.5 18.8 1.0 N A:CYS48 4.6 19.1 1.0 CA A:CYS48 4.6 19.1 1.0 N A:ALA43 4.7 20.1 1.0 N A:GLY41 4.7 19.8 1.0 CA A:ALA43 4.8 20.0 1.0 CD1 A:LEU84 4.9 20.0 1.0 CG A:MET24 4.9 21.1 1.0

Iron binding site 3 out of 6 in the Crystal Structure of C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A 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 Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe107 b:21.4 occ:1.00 FE1 B:FES107 0.0 21.4 1.0 S1 B:FES107 2.2 21.4 1.0 S2 B:FES107 2.2 21.2 1.0 SG B:CYS39 2.3 22.0 1.0 SG B:CYS45 2.3 21.7 1.0 FE2 B:FES107 2.7 21.2 1.0 CB B:CYS39 3.4 22.7 1.0 CB B:CYS45 3.5 21.9 1.0 N B:CYS45 3.7 22.1 1.0 N B:CYS39 3.7 23.0 1.0 CA B:CYS45 4.0 21.9 1.0 CA B:CYS39 4.0 22.8 1.0 N B:GLY41 4.1 22.8 1.0 N B:SER44 4.2 22.4 1.0 N B:ALA46 4.2 21.8 1.0 N B:GLY40 4.4 22.9 1.0 SG B:CYS86 4.4 21.1 1.0 C B:CYS39 4.5 22.9 1.0 C B:CYS45 4.5 21.9 1.0 CA B:GLY41 4.5 22.8 1.0 N B:ALA43 4.6 22.6 1.0 SG B:CYS48 4.6 21.1 1.0 C B:SER44 4.6 22.2 1.0 N B:ASP38 4.7 23.4 1.0 OG1 B:THR47 4.7 21.3 1.0 C B:GLY37 4.7 23.6 1.0 N B:SER42 4.7 22.8 1.0 CA B:ALA43 4.8 22.6 1.0 N B:THR47 4.8 21.4 1.0 CA B:GLY37 4.8 23.7 1.0 C B:ASP38 4.9 23.2 1.0

Iron binding site 4 out of 6 in the Crystal Structure of C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A 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 Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe107 b:21.2 occ:1.00 FE2 B:FES107 0.0 21.2 1.0 S1 B:FES107 2.3 21.4 1.0 S2 B:FES107 2.3 21.2 1.0 SG B:CYS48 2.3 21.1 1.0 SG B:CYS86 2.3 21.1 1.0 FE1 B:FES107 2.7 21.4 1.0 CB B:CYS86 3.1 21.1 1.0 CB B:CYS48 3.4 21.1 1.0 N B:CYS86 4.2 21.0 1.0 CB B:LEU84 4.3 20.9 1.0 CA B:CYS86 4.3 21.1 1.0 CA B:GLY41 4.3 22.8 1.0 SG B:CYS39 4.5 22.0 1.0 SG B:CYS45 4.6 21.7 1.0 N B:CYS48 4.6 21.2 1.0 CA B:CYS48 4.6 21.1 1.0 N B:GLY41 4.7 22.8 1.0 N B:ALA43 4.8 22.6 1.0 CA B:ALA43 4.9 22.6 1.0 CG B:MET24 4.9 21.6 1.0 CD1 B:LEU84 5.0 20.9 1.0 C B:GLY41 5.0 22.8 1.0

Iron binding site 5 out of 6 in the Crystal Structure of C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A 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 C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe107 b:15.9 occ:1.00 FE1 C:FES107 0.0 15.9 1.0 S1 C:FES107 2.2 16.1 1.0 S2 C:FES107 2.2 16.0 1.0 SG C:CYS45 2.4 20.5 1.0 SG C:CYS39 2.4 20.3 1.0 FE2 C:FES107 2.7 15.9 1.0 CB C:CYS39 3.4 20.6 1.0 N C:CYS45 3.5 20.8 1.0 CB C:CYS45 3.6 20.6 1.0 N C:CYS39 3.7 20.8 1.0 CA C:CYS45 3.9 20.6 1.0 N C:ALA46 4.0 20.5 1.0 CA C:CYS39 4.0 20.7 1.0 N C:SER44 4.1 20.9 1.0 N C:GLY41 4.2 20.6 1.0 C C:CYS45 4.3 20.6 1.0 N C:GLY40 4.5 20.6 1.0 N C:ALA43 4.5 20.8 1.0 SG C:CYS86 4.5 19.2 1.0 C C:CYS39 4.5 20.6 1.0 C C:SER44 4.6 20.8 1.0 CA C:GLY41 4.6 20.6 1.0 N C:THR47 4.6 20.1 1.0 C C:GLY37 4.6 21.0 1.0 SG C:CYS48 4.6 19.4 1.0 N C:ASP38 4.7 20.9 1.0 OG1 C:THR47 4.7 19.9 1.0 CA C:ALA43 4.7 20.8 1.0 CA C:GLY37 4.7 21.0 1.0 N C:SER42 4.7 20.7 1.0 C C:ALA43 4.9 20.9 1.0 C C:ASP38 4.9 20.9 1.0 CA C:SER44 4.9 20.9 1.0

Iron binding site 6 out of 6 in the Crystal Structure of C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A 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 C73S Mutant of Putidaredoxin, A [2FE- 2S] Ferredoxin From Pseudomonas Putida, at 1.65A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe107 b:15.9 occ:1.00 FE2 C:FES107 0.0 15.9 1.0 S1 C:FES107 2.2 16.1 1.0 S2 C:FES107 2.2 16.0 1.0 SG C:CYS48 2.4 19.4 1.0 SG C:CYS86 2.4 19.2 1.0 FE1 C:FES107 2.7 15.9 1.0 CB C:CYS86 3.2 19.4 1.0 CB C:CYS48 3.4 19.7 1.0 N C:CYS86 4.3 19.4 1.0 CB C:LEU84 4.3 19.5 1.0 CA C:CYS86 4.3 19.4 1.0 CA C:GLY41 4.4 20.6 1.0 N C:CYS48 4.5 19.8 1.0 SG C:CYS39 4.5 20.3 1.0 SG C:CYS45 4.6 20.5 1.0 CA C:CYS48 4.6 19.7 1.0 N C:ALA43 4.6 20.8 1.0 CA C:ALA43 4.7 20.8 1.0 N C:GLY41 4.8 20.6 1.0 CD1 C:LEU84 4.9 19.5 1.0 N C:ALA46 4.9 20.5 1.0 C C:GLY41 4.9 20.7 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