Iron in PDB 2pvo: Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase

The structure of Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase, PDB code: 2pvo was solved by S.Dai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 3.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.426, 130.426, 63.837, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 26.3

The binding sites of Iron atom in the Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase (pdb code 2pvo). 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 Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase, PDB code: 2pvo:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:17.8 occ:1.00 FE1 A:SF4300 0.0 17.8 1.0 S2 A:SF4300 2.3 19.7 1.0 S3 A:SF4300 2.3 20.2 1.0 SG A:CYS76 2.3 22.7 1.0 S4 A:SF4300 2.3 19.5 1.0 FE2 A:SF4300 2.7 19.2 1.0 FE4 A:SF4300 2.7 19.8 1.0 FE3 A:SF4300 2.8 21.0 1.0 CB A:CYS76 3.4 19.8 1.0 N A:CYS76 3.7 18.0 1.0 S1 A:SF4300 3.9 20.1 1.0 CB A:MET79 4.0 28.2 1.0 CA A:CYS76 4.2 18.6 1.0 SG A:CYS55 4.5 23.7 1.0 CA A:CYS85 4.5 36.9 1.0 O A:GLU84 4.7 42.5 1.0 CG A:MET79 4.7 29.8 1.0 C A:PRO75 4.8 18.4 1.0 SG A:CYS74 4.8 17.7 1.0 O A:CYS76 4.8 16.1 1.0 CB A:CYS85 4.8 37.2 1.0 SG A:CYS85 4.9 37.5 1.0 C A:CYS76 4.9 17.1 1.0 CA A:PRO75 4.9 19.6 1.0 N A:HIS86 5.0 35.2 1.0

Iron binding site 2 out of 6 in the Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:19.2 occ:1.00 FE2 A:SF4300 0.0 19.2 1.0 S3 A:SF4300 2.3 20.2 1.0 S4 A:SF4300 2.3 19.5 1.0 S1 A:SF4300 2.4 20.1 1.0 SG A:CYS85 2.5 37.5 1.0 FE1 A:SF4300 2.7 17.8 1.0 FE4 A:SF4300 2.7 19.8 1.0 FE3 A:SF4300 2.7 21.0 1.0 CB A:CYS85 3.3 37.2 1.0 CA A:CYS85 3.6 36.9 1.0 S2 A:SF4300 3.8 19.7 1.0 SG A:CYS87 3.9 23.6 1.0 C A:CYS85 3.9 35.8 1.0 CB A:CYS87 4.0 32.2 1.0 N A:CYS87 4.0 35.1 1.0 N A:HIS86 4.1 35.2 1.0 CD1 A:PHE90 4.4 46.2 1.0 O A:CYS85 4.5 35.5 1.0 CB A:LEU89 4.6 40.8 1.0 CA A:CYS87 4.6 34.7 1.0 CE1 A:PHE90 4.7 46.8 1.0 SG A:CYS74 4.8 17.7 1.0 SG A:CYS55 4.8 23.7 1.0 SG A:CYS76 4.9 22.7 1.0 N A:LEU89 4.9 39.6 1.0 N A:CYS85 4.9 39.3 1.0

Iron binding site 3 out of 6 in the Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:21.0 occ:1.00 FE3 A:SF4300 0.0 21.0 1.0 S4 A:SF4300 2.2 19.5 1.0 SG A:CYS74 2.2 17.7 1.0 S2 A:SF4300 2.3 19.7 1.0 S1 A:SF4300 2.3 20.1 1.0 FE2 A:SF4300 2.7 19.2 1.0 FE1 A:SF4300 2.8 17.8 1.0 FE4 A:SF4300 2.8 19.8 1.0 CB A:CYS74 3.2 17.3 1.0 CA A:CYS74 3.8 18.1 1.0 S3 A:SF4300 3.9 20.2 1.0 CE1 A:PHE90 4.1 46.8 1.0 CA A:PRO75 4.1 19.6 1.0 N A:CYS76 4.3 18.0 1.0 CD1 A:PHE90 4.6 46.2 1.0 C A:CYS74 4.7 19.3 1.0 N A:PRO75 4.7 20.5 1.0 SG A:CYS76 4.7 22.7 1.0 CD1 A:LEU43 4.8 33.6 1.0 CD2 A:LEU89 4.8 40.0 1.0 C A:PRO75 4.8 18.4 1.0 SG A:CYS85 4.8 37.5 1.0 N A:CYS74 4.8 18.1 1.0

Iron binding site 4 out of 6 in the Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:19.8 occ:1.00 FE4 A:SF4300 0.0 19.8 1.0 S3 A:SF4300 2.2 20.2 1.0 S2 A:SF4300 2.3 19.7 1.0 S1 A:SF4300 2.3 20.1 1.0 SG A:CYS55 2.5 23.7 1.0 FE2 A:SF4300 2.7 19.2 1.0 FE1 A:SF4300 2.7 17.8 1.0 FE3 A:SF4300 2.8 21.0 1.0 SG A:CYS87 3.0 23.6 1.0 CB A:CYS55 3.3 21.2 1.0 S4 A:SF4300 3.9 19.5 1.0 CA A:CYS55 3.9 21.8 1.0 CB A:CYS87 4.2 32.2 1.0 SG A:CYS74 4.4 17.7 1.0 CD A:PRO56 4.6 22.1 1.0 SG A:CYS76 4.7 22.7 1.0 CB A:CYS74 4.7 17.3 1.0 C A:CYS55 4.8 23.5 1.0 N A:CYS55 4.8 19.3 1.0 N A:CYS87 4.9 35.1 1.0 N A:PRO56 5.0 23.8 1.0

Iron binding site 5 out of 6 in the Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe400 b:34.9 occ:1.00 FE1 D:FES400 0.0 34.9 1.0 S2 D:FES400 2.2 35.4 1.0 S1 D:FES400 2.2 32.7 1.0 SG D:CYS44 2.3 22.0 1.0 SG D:CYS39 2.4 35.4 1.0 FE2 D:FES400 2.7 30.8 1.0 N D:CYS44 3.1 32.9 1.0 CB D:CYS44 3.3 32.3 1.0 CB D:CYS39 3.4 32.4 1.0 N D:ARG40 3.6 31.1 1.0 CA D:CYS44 3.6 34.1 1.0 N D:ALA43 3.7 35.3 1.0 N D:CYS39 3.8 30.7 1.0 C D:CYS44 4.0 36.3 1.0 CA D:CYS39 4.0 30.9 1.0 O D:CYS44 4.1 37.4 1.0 SG D:CYS77 4.1 19.4 1.0 N D:GLY42 4.1 35.3 1.0 C D:ALA43 4.2 32.9 1.0 C D:CYS39 4.2 29.7 1.0 N D:ALA41 4.2 35.9 1.0 CA D:GLY42 4.4 36.1 1.0 CA D:ALA43 4.5 33.6 1.0 CA D:ARG40 4.5 33.0 1.0 C D:GLY42 4.6 36.5 1.0 N D:SER45 4.8 37.0 1.0 C D:ALA41 4.9 35.4 1.0 SG D:CYS47 4.9 40.2 1.0 C D:ARG40 4.9 34.5 1.0 C D:SER38 5.0 29.9 1.0 N D:SER38 5.0 30.3 1.0 CB D:ALA43 5.0 33.2 1.0

Iron binding site 6 out of 6 in the Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Srtucture of the Ternary Complex Between Thioredoxin F, Ferredoxin, and Ferredoxin: Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe400 b:30.8 occ:1.00 FE2 D:FES400 0.0 30.8 1.0 S1 D:FES400 2.2 32.7 1.0 S2 D:FES400 2.2 35.4 1.0 SG D:CYS77 2.3 19.4 1.0 SG D:CYS47 2.4 40.2 1.0 FE1 D:FES400 2.7 34.9 1.0 CB D:CYS47 2.9 40.2 1.0 CB D:CYS77 3.5 27.0 1.0 N D:CYS47 3.7 40.4 1.0 CA D:CYS47 3.9 41.1 1.0 SG D:CYS44 3.9 22.0 1.0 N D:ARG40 4.1 31.1 1.0 CA D:ARG40 4.3 33.0 1.0 SG D:CYS39 4.5 35.4 1.0 N D:CYS77 4.6 28.9 1.0 CA D:CYS77 4.6 28.4 1.0 N D:GLY42 4.7 35.3 1.0 C D:CYS47 4.7 43.6 1.0 CB D:LEU75 4.9 30.3 1.0 C D:THR46 4.9 40.6 1.0 N D:ALA41 4.9 35.9 1.0 N D:SER38 4.9 30.3 1.0 O D:CYS44 4.9 37.4 1.0 CA D:GLY42 4.9 36.1 1.0 N D:THR46 4.9 39.6 1.0 CB D:TYR37 5.0 27.7 1.0 N D:ALA48 5.0 45.0 1.0

S.Dai, R.Friemann, D.A.Glauser, F.Bourquin, W.Manieri, P.Schurmann, H.Eklund. Structural Snapshots Along the Reaction Pathway of Ferredoxin-Thioredoxin Reductase. Nature V. 448 92 2007.
ISSN: ISSN 0028-0836
PubMed: 17611542
DOI: 10.1038/NATURE05937