Iron in PDB 2pu9: Crystal Srtucture of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin F

The structure of Crystal Srtucture of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin F, PDB code: 2pu9 was solved by S.Dai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	500.00 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.322, 66.788, 69.698, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 23.1

The binding sites of Iron atom in the Crystal Srtucture of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin F (pdb code 2pu9). 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 Srtucture of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin F, PDB code: 2pu9:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Srtucture of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin F


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 Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin F within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:16.9 occ:1.00 FE1 A:SF4400 0.0 16.9 1.0 S4 A:SF4400 2.3 15.9 1.0 S3 A:SF4400 2.3 14.6 1.0 S2 A:SF4400 2.3 14.4 1.0 SG A:CYS85 2.3 15.2 1.0 FE4 A:SF4400 2.6 17.0 1.0 FE3 A:SF4400 2.7 15.9 1.0 FE2 A:SF4400 2.7 18.9 1.0 CB A:CYS85 3.4 12.9 1.0 CA A:CYS85 3.8 15.0 1.0 S1 A:SF4400 3.8 15.9 1.0 CB A:CYS87 4.0 14.8 1.0 SG A:CYS87 4.3 20.6 1.0 C A:CYS85 4.3 15.3 1.0 N A:CYS87 4.3 16.2 1.0 CD1 A:PHE90 4.3 16.7 1.0 N A:HIS86 4.5 16.3 1.0 CB A:LEU89 4.6 14.0 1.0 CE1 A:PHE90 4.6 17.9 1.0 SG A:CYS76 4.7 14.5 1.0 CA A:CYS87 4.7 15.4 1.0 SG A:CYS74 4.8 14.8 1.0 O A:CYS85 5.0 16.5 1.0

Iron binding site 2 out of 4 in the Crystal Srtucture of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin F


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 Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin F within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:18.9 occ:1.00 FE2 A:SF4400 0.0 18.9 1.0 S3 A:SF4400 2.3 14.6 1.0 S4 A:SF4400 2.3 15.9 1.0 S1 A:SF4400 2.3 15.9 1.0 SG A:CYS55 2.4 14.9 1.0 FE4 A:SF4400 2.7 17.0 1.0 FE1 A:SF4400 2.7 16.9 1.0 SG A:CYS87 2.8 20.6 1.0 FE3 A:SF4400 2.9 15.9 1.0 CB A:CYS55 3.4 14.3 1.0 CB A:CYS87 3.8 14.8 1.0 CA A:CYS55 4.0 13.1 1.0 S2 A:SF4400 4.0 14.4 1.0 O A:HOH463 4.2 22.5 1.0 CD A:PRO56 4.3 16.1 1.0 N A:CYS87 4.6 16.2 1.0 SG A:CYS76 4.7 14.5 1.0 SG A:CYS85 4.7 15.2 1.0 CA A:CYS87 4.8 15.4 1.0 N A:PRO56 4.8 14.6 1.0 C A:CYS55 4.8 14.2 1.0 SG A:CYS74 5.0 14.8 1.0

Iron binding site 3 out of 4 in the Crystal Srtucture of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin F


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 Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin F within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:15.9 occ:1.00 FE3 A:SF4400 0.0 15.9 1.0 S2 A:SF4400 2.3 14.4 1.0 S4 A:SF4400 2.3 15.9 1.0 SG A:CYS74 2.3 14.8 1.0 S1 A:SF4400 2.3 15.9 1.0 FE1 A:SF4400 2.7 16.9 1.0 FE4 A:SF4400 2.7 17.0 1.0 FE2 A:SF4400 2.9 18.9 1.0 CB A:CYS74 3.2 13.3 1.0 CA A:CYS74 3.9 13.9 1.0 S3 A:SF4400 4.0 14.6 1.0 CA A:PRO75 4.3 14.3 1.0 CE1 A:PHE90 4.4 17.9 1.0 N A:CYS76 4.4 15.2 1.0 CD2 A:LEU43 4.5 14.9 1.0 CD1 A:LEU43 4.7 16.5 1.0 SG A:CYS76 4.8 14.5 1.0 CD1 A:PHE90 4.8 16.7 1.0 SG A:CYS85 4.8 15.2 1.0 C A:CYS74 4.8 15.8 1.0 N A:CYS74 4.9 15.2 1.0 N A:PRO75 4.9 15.5 1.0 C A:PRO75 4.9 15.5 1.0

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


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 Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin F within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:17.0 occ:1.00 FE4 A:SF4400 0.0 17.0 1.0 S1 A:SF4400 2.3 15.9 1.0 SG A:CYS76 2.3 14.5 1.0 S2 A:SF4400 2.3 14.4 1.0 S3 A:SF4400 2.3 14.6 1.0 FE1 A:SF4400 2.6 16.9 1.0 FE2 A:SF4400 2.7 18.9 1.0 FE3 A:SF4400 2.7 15.9 1.0 CB A:CYS76 3.3 15.5 1.0 N A:CYS76 3.6 15.2 1.0 S4 A:SF4400 3.8 15.9 1.0 CA A:CYS76 4.1 14.6 1.0 O A:HOH435 4.3 18.8 1.0 CB A:MET79 4.3 14.1 1.0 SG A:CYS55 4.4 14.9 1.0 SG A:CYS74 4.7 14.8 1.0 CB A:CYS55 4.7 14.3 1.0 C A:PRO75 4.7 15.5 1.0 SG A:CYS85 4.7 15.2 1.0 CA A:CYS85 4.9 15.0 1.0 CA A:PRO75 4.9 14.3 1.0 O A:HOH463 4.9 22.5 1.0 C A:CYS76 5.0 14.1 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