Iron in PDB 2puk: Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M

The structure of Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M, PDB code: 2puk was solved by S.Dai, R.Friemann, P.Schurmann, H.Eklund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.952, 42.223, 145.344, 90.00, 90.29, 90.00
R / Rfree (%)	23.5 / 28.4

The binding sites of Iron atom in the Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M (pdb code 2puk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M, PDB code: 2puk:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M


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 the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1000 b:31.9 occ:1.00 FE1 A:SF41000 0.0 31.9 1.0 S2 A:SF41000 2.1 32.0 1.0 S4 A:SF41000 2.1 31.8 1.0 S3 A:SF41000 2.1 32.0 1.0 SG A:CYS76 2.2 30.7 1.0 FE3 A:SF41000 2.5 32.6 1.0 FE4 A:SF41000 2.5 32.6 1.0 FE2 A:SF41000 2.5 33.0 1.0 CB A:CYS76 3.4 32.1 1.0 S1 A:SF41000 3.6 31.9 1.0 N A:CYS76 3.9 32.5 1.0 CB A:MET79 4.2 32.9 1.0 SG A:CYS55 4.3 37.0 1.0 CA A:CYS76 4.3 32.3 1.0 SG A:CYS85 4.7 32.8 1.0 SG A:CYS74 4.8 33.9 1.0 CA A:CYS85 4.9 33.6 1.0 CB A:CYS55 4.9 37.4 1.0 CB A:CYS85 4.9 33.2 1.0

Iron binding site 2 out of 8 in the Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M


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 the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1000 b:33.0 occ:1.00 FE2 A:SF41000 0.0 33.0 1.0 S1 A:SF41000 2.1 31.9 1.0 S3 A:SF41000 2.1 32.0 1.0 S4 A:SF41000 2.1 31.8 1.0 SG A:CYS85 2.3 32.8 1.0 FE4 A:SF41000 2.5 32.6 1.0 FE3 A:SF41000 2.5 32.6 1.0 FE1 A:SF41000 2.5 31.9 1.0 CB A:CYS85 3.3 33.2 1.0 S2 A:SF41000 3.6 32.0 1.0 CA A:CYS85 3.7 33.6 1.0 SG A:CYS87 4.2 38.5 1.0 CD1 A:PHE90 4.2 40.2 1.0 C A:CYS85 4.2 34.0 1.0 CB A:CYS87 4.3 37.0 1.0 N A:HIS86 4.3 34.6 1.0 N A:CYS87 4.4 36.1 1.0 CE1 A:PHE90 4.4 40.0 1.0 SG A:CYS76 4.5 30.7 1.0 CB A:LEU89 4.7 38.9 1.0 CB A:MET79 4.9 32.9 1.0 SG A:CYS55 4.9 37.0 1.0 O A:CYS85 5.0 34.1 1.0 CA A:CYS87 5.0 37.0 1.0 SG A:CYS74 5.0 33.9 1.0

Iron binding site 3 out of 8 in the Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M


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 the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1000 b:32.6 occ:1.00 FE3 A:SF41000 0.0 32.6 1.0 S2 A:SF41000 2.1 32.0 1.0 S4 A:SF41000 2.1 31.8 1.0 S1 A:SF41000 2.1 31.9 1.0 FE1 A:SF41000 2.5 31.9 1.0 FE2 A:SF41000 2.5 33.0 1.0 FE4 A:SF41000 2.5 32.6 1.0 SG A:CYS74 2.6 33.9 1.0 CB A:CYS74 3.4 33.3 1.0 S3 A:SF41000 3.6 32.0 1.0 CE1 A:PHE90 4.0 40.0 1.0 CA A:CYS74 4.1 33.3 1.0 SG A:CYS76 4.4 30.7 1.0 CD1 A:PHE90 4.5 40.2 1.0 CA A:PRO75 4.6 32.8 1.0 SG A:CYS85 4.6 32.8 1.0 N A:CYS76 4.6 32.5 1.0 SG A:CYS55 4.7 37.0 1.0 CD2 A:LEU43 4.8 43.2 1.0 CD2 A:LEU89 5.0 38.6 1.0

Iron binding site 4 out of 8 in the Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M


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 the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1000 b:32.6 occ:1.00 FE4 A:SF41000 0.0 32.6 1.0 S3 A:SF41000 2.1 32.0 1.0 S2 A:SF41000 2.1 32.0 1.0 S1 A:SF41000 2.1 31.9 1.0 SG A:CYS55 2.5 37.0 1.0 FE2 A:SF41000 2.5 33.0 1.0 FE1 A:SF41000 2.5 31.9 1.0 FE3 A:SF41000 2.5 32.6 1.0 SG A:CYS87 2.9 38.5 1.0 S4 A:SF41000 3.6 31.8 1.0 CB A:CYS55 3.6 37.4 1.0 CB A:CYS87 4.1 37.0 1.0 CA A:CYS55 4.3 37.4 1.0 CD A:PRO56 4.5 37.7 1.0 SG A:CYS76 4.6 30.7 1.0 SG A:CYS85 4.6 32.8 1.0 N A:CYS87 4.7 36.1 1.0 SG A:CYS74 4.8 33.9 1.0

Iron binding site 5 out of 8 in the Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M


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 the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe1000 b:30.6 occ:1.00 FE1 E:SF41000 0.0 30.6 1.0 S2 E:SF41000 2.1 30.1 1.0 S4 E:SF41000 2.1 29.7 1.0 S3 E:SF41000 2.1 30.1 1.0 SG E:CYS76 2.4 33.3 1.0 FE3 E:SF41000 2.5 29.5 1.0 FE4 E:SF41000 2.5 31.2 1.0 FE2 E:SF41000 2.5 30.6 1.0 CB E:CYS76 3.3 35.1 1.0 S1 E:SF41000 3.6 31.0 1.0 N E:CYS76 3.7 35.3 1.0 CA E:CYS76 4.1 35.4 1.0 CB E:MET79 4.2 39.6 1.0 SG E:CYS55 4.5 40.2 1.0 SG E:CYS85 4.5 43.7 1.0 SG E:CYS74 4.6 35.4 1.0 C E:PRO75 4.8 35.0 1.0 CB E:CYS55 4.9 40.6 1.0 CA E:PRO75 4.9 34.9 1.0 CG E:MET79 4.9 40.1 1.0 CA E:CYS85 4.9 44.3 1.0 C E:CYS76 5.0 36.0 1.0

Iron binding site 6 out of 8 in the Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M


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 the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe1000 b:30.6 occ:1.00 FE2 E:SF41000 0.0 30.6 1.0 S3 E:SF41000 2.1 30.1 1.0 S1 E:SF41000 2.1 31.0 1.0 S4 E:SF41000 2.1 29.7 1.0 SG E:CYS85 2.2 43.7 1.0 FE3 E:SF41000 2.5 29.5 1.0 FE4 E:SF41000 2.5 31.2 1.0 FE1 E:SF41000 2.5 30.6 1.0 CB E:CYS85 3.4 44.2 1.0 S2 E:SF41000 3.6 30.1 1.0 CA E:CYS85 3.9 44.3 1.0 SG E:CYS87 4.0 47.5 1.0 C E:CYS85 4.3 44.8 1.0 CB E:CYS87 4.3 47.1 1.0 CD1 E:PHE90 4.4 48.5 1.0 N E:CYS87 4.4 46.6 1.0 N E:HIS86 4.4 45.4 1.0 SG E:CYS76 4.7 33.3 1.0 SG E:CYS74 4.7 35.4 1.0 CE1 E:PHE90 4.7 48.3 1.0 CB E:LEU89 4.8 48.6 1.0 CA E:CYS87 5.0 47.0 1.0 SG E:CYS55 5.0 40.2 1.0

Iron binding site 7 out of 8 in the Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M


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 the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe1000 b:29.5 occ:1.00 FE3 E:SF41000 0.0 29.5 1.0 S4 E:SF41000 2.1 29.7 1.0 S2 E:SF41000 2.1 30.1 1.0 S1 E:SF41000 2.1 31.0 1.0 SG E:CYS74 2.4 35.4 1.0 FE1 E:SF41000 2.5 30.6 1.0 FE2 E:SF41000 2.5 30.6 1.0 FE4 E:SF41000 2.5 31.2 1.0 CB E:CYS74 3.3 34.9 1.0 S3 E:SF41000 3.6 30.1 1.0 CA E:CYS74 3.9 34.8 1.0 CD2 E:LEU43 4.3 48.0 1.0 N E:CYS76 4.5 35.3 1.0 CE1 E:PHE90 4.5 48.3 1.0 CA E:PRO75 4.5 34.9 1.0 SG E:CYS85 4.6 43.7 1.0 SG E:CYS55 4.7 40.2 1.0 SG E:CYS76 4.7 33.3 1.0 CD2 E:LEU89 4.8 48.5 1.0 N E:CYS74 4.9 34.7 1.0 CD1 E:PHE90 4.9 48.5 1.0 SG E:CYS87 4.9 47.5 1.0 C E:CYS74 4.9 34.8 1.0

Iron binding site 8 out of 8 in the Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of the Binary Complex Between Ferredoxin: Thioredoxin Reductase and Thioredoxin M within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe1000 b:31.2 occ:1.00 FE4 E:SF41000 0.0 31.2 1.0 S1 E:SF41000 2.1 31.0 1.0 S3 E:SF41000 2.1 30.1 1.0 S2 E:SF41000 2.1 30.1 1.0 FE1 E:SF41000 2.5 30.6 1.0 FE2 E:SF41000 2.5 30.6 1.0 FE3 E:SF41000 2.5 29.5 1.0 SG E:CYS55 2.5 40.2 1.0 SG E:CYS87 2.9 47.5 1.0 CB E:CYS55 3.6 40.6 1.0 S4 E:SF41000 3.6 29.7 1.0 CB E:CYS87 4.2 47.1 1.0 CA E:CYS55 4.2 40.8 1.0 CD E:PRO56 4.3 41.3 1.0 SG E:CYS85 4.5 43.7 1.0 SG E:CYS76 4.6 33.3 1.0 N E:CYS87 4.7 46.6 1.0 SG E:CYS74 4.7 35.4 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