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

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

Resolution Low / High (Å)	50.00 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	63.462, 89.702, 99.303, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 28.8

The binding sites of Iron atom in the Crystal Srtucture of the Binary Complex Between Ferredoxin and Ferredoxin:Thioredoxin Reductase (pdb code 2pvg). 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 Binary Complex Between Ferredoxin and Ferredoxin:Thioredoxin Reductase, PDB code: 2pvg:
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 Binary Complex Between 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 Binary Complex Between Ferredoxin and Ferredoxin:Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:38.6 occ:1.00 FE1 A:SF4400 0.0 38.6 1.0 S2 A:SF4400 2.3 36.9 1.0 S4 A:SF4400 2.3 38.5 1.0 S3 A:SF4400 2.3 36.4 1.0 SG A:CYS85 2.4 39.8 1.0 FE3 A:SF4400 2.7 37.4 1.0 FE4 A:SF4400 2.7 38.1 1.0 FE2 A:SF4400 2.8 35.4 1.0 CB A:CYS85 3.4 41.5 1.0 CA A:CYS85 3.7 40.9 1.0 S1 A:SF4400 3.9 38.1 1.0 C A:CYS85 4.1 40.0 1.0 CB A:CYS87 4.1 46.0 1.0 N A:CYS87 4.1 44.4 1.0 N A:HIS86 4.3 40.2 1.0 SG A:CYS87 4.4 46.8 1.0 CB A:LEU89 4.5 36.1 1.0 CD1 A:PHE90 4.6 33.9 1.0 CA A:CYS87 4.7 46.0 1.0 O A:CYS85 4.9 39.5 1.0 O A:HOH428 4.9 42.2 1.0 SG A:CYS55 4.9 42.0 1.0 SG A:CYS76 4.9 34.6 1.0 N A:LEU89 5.0 40.5 1.0 CD2 A:LEU89 5.0 35.5 1.0

Iron binding site 2 out of 6 in the Crystal Srtucture of the Binary Complex Between 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 Binary Complex Between Ferredoxin and Ferredoxin:Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:35.4 occ:1.00 FE2 A:SF4400 0.0 35.4 1.0 S1 A:SF4400 2.3 38.1 1.0 S3 A:SF4400 2.3 36.4 1.0 S4 A:SF4400 2.3 38.5 1.0 SG A:CYS74 2.4 34.8 1.0 FE3 A:SF4400 2.8 37.4 1.0 FE1 A:SF4400 2.8 38.6 1.0 FE4 A:SF4400 2.8 38.1 1.0 CB A:CYS74 3.3 32.9 1.0 CA A:CYS74 3.8 34.0 1.0 S2 A:SF4400 4.0 36.9 1.0 CA A:PRO75 4.3 33.0 1.0 N A:CYS76 4.4 29.4 1.0 CD2 A:LEU43 4.5 58.1 1.0 CE1 A:PHE90 4.5 30.3 1.0 CD2 A:LEU89 4.6 35.5 1.0 CD1 A:PHE90 4.8 33.9 1.0 N A:CYS74 4.8 35.7 1.0 C A:CYS74 4.8 34.5 1.0 SG A:CYS85 4.9 39.8 1.0 SG A:CYS55 4.9 42.0 1.0 N A:PRO75 5.0 33.5 1.0 C A:PRO75 5.0 33.1 1.0 SG A:CYS76 5.0 34.6 1.0

Iron binding site 3 out of 6 in the Crystal Srtucture of the Binary Complex Between 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 Binary Complex Between Ferredoxin and Ferredoxin:Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:37.4 occ:1.00 FE3 A:SF4400 0.0 37.4 1.0 S1 A:SF4400 2.3 38.1 1.0 S2 A:SF4400 2.3 36.9 1.0 S4 A:SF4400 2.3 38.5 1.0 SG A:CYS76 2.4 34.6 1.0 FE1 A:SF4400 2.7 38.6 1.0 FE4 A:SF4400 2.8 38.1 1.0 FE2 A:SF4400 2.8 35.4 1.0 CB A:CYS76 3.3 32.2 1.0 N A:CYS76 3.6 29.4 1.0 S3 A:SF4400 3.9 36.4 1.0 O A:HOH428 4.0 42.2 1.0 CA A:CYS76 4.1 31.1 1.0 CB A:MET79 4.2 31.1 1.0 SG A:CYS55 4.3 42.0 1.0 C A:PRO75 4.7 33.1 1.0 CA A:CYS85 4.8 40.9 1.0 CA A:PRO75 4.9 33.0 1.0 SG A:CYS74 4.9 34.8 1.0 SG A:CYS85 4.9 39.8 1.0 C A:CYS76 4.9 31.8 1.0 O A:GLU84 5.0 42.4 1.0 CB A:CYS55 5.0 43.0 1.0 CE3 A:TRP72 5.0 36.3 1.0

Iron binding site 4 out of 6 in the Crystal Srtucture of the Binary Complex Between 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 Binary Complex Between Ferredoxin and Ferredoxin:Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:38.1 occ:1.00 FE4 A:SF4400 0.0 38.1 1.0 S3 A:SF4400 2.3 36.4 1.0 S2 A:SF4400 2.3 36.9 1.0 SG A:CYS55 2.3 42.0 1.0 S1 A:SF4400 2.4 38.1 1.0 FE1 A:SF4400 2.7 38.6 1.0 FE3 A:SF4400 2.8 37.4 1.0 FE2 A:SF4400 2.8 35.4 1.0 SG A:CYS87 3.2 46.8 1.0 CB A:CYS55 3.4 43.0 1.0 S4 A:SF4400 3.9 38.5 1.0 CA A:CYS55 4.0 44.4 1.0 CB A:CYS87 4.1 46.0 1.0 O A:HOH408 4.3 25.2 1.0 CD A:PRO56 4.4 46.5 1.0 SG A:CYS57 4.6 54.6 1.0 N A:CYS87 4.7 44.4 1.0 C A:CYS55 4.9 44.5 1.0 SG A:CYS74 4.9 34.8 1.0 N A:PRO56 4.9 46.0 1.0 SG A:CYS76 4.9 34.6 1.0 SG A:CYS85 4.9 39.8 1.0

Iron binding site 5 out of 6 in the Crystal Srtucture of the Binary Complex Between 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 Binary Complex Between Ferredoxin and Ferredoxin:Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe300 b:42.2 occ:1.00 FE1 C:FES300 0.0 42.2 1.0 SG C:CYS44 2.2 44.2 1.0 S1 C:FES300 2.3 44.0 1.0 S2 C:FES300 2.3 37.7 1.0 SG C:CYS39 2.3 44.9 1.0 FE2 C:FES300 2.8 37.6 1.0 CB C:CYS44 3.4 39.9 1.0 N C:CYS44 3.5 39.9 1.0 N C:CYS39 3.5 45.4 1.0 CB C:CYS39 3.6 44.2 1.0 CA C:CYS44 3.8 41.4 1.0 N C:ARG40 3.9 44.7 1.0 CA C:CYS39 4.0 44.9 1.0 C C:CYS44 4.0 40.9 1.0 N C:ALA43 4.2 39.1 1.0 N C:GLY42 4.2 41.4 1.0 O C:CYS44 4.2 41.7 1.0 CB C:SER38 4.4 45.3 1.0 C C:CYS39 4.4 45.0 1.0 N C:SER38 4.5 46.0 1.0 SG C:CYS77 4.5 38.0 1.0 C C:SER38 4.5 46.2 1.0 C C:ALA43 4.6 40.1 1.0 N C:SER45 4.6 39.7 1.0 N C:ALA41 4.6 44.6 1.0 CA C:GLY42 4.6 41.4 1.0 CA C:SER38 4.7 45.8 1.0 C C:GLY42 4.8 40.5 1.0 N C:THR46 4.8 39.8 1.0 SG C:CYS47 4.8 37.0 1.0 CA C:ARG40 4.9 45.1 1.0 CA C:ALA43 5.0 39.4 1.0

Iron binding site 6 out of 6 in the Crystal Srtucture of the Binary Complex Between 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 Binary Complex Between Ferredoxin and Ferredoxin:Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe300 b:37.6 occ:1.00 FE2 C:FES300 0.0 37.6 1.0 SG C:CYS77 2.2 38.0 1.0 S2 C:FES300 2.3 37.7 1.0 S1 C:FES300 2.3 44.0 1.0 SG C:CYS47 2.6 37.0 1.0 FE1 C:FES300 2.8 42.2 1.0 CB C:CYS77 3.3 39.9 1.0 CB C:CYS47 3.5 38.5 1.0 N C:GLY42 3.9 41.4 1.0 SG C:CYS39 4.2 44.9 1.0 CA C:GLY42 4.2 41.4 1.0 N C:ARG40 4.2 44.7 1.0 N C:CYS77 4.3 38.8 1.0 CA C:CYS77 4.4 38.5 1.0 CB C:LEU75 4.4 43.6 1.0 CA C:ARG40 4.4 45.1 1.0 N C:CYS47 4.5 40.8 1.0 N C:ALA41 4.5 44.6 1.0 SG C:CYS44 4.6 44.2 1.0 CA C:CYS47 4.6 38.4 1.0 C C:ARG40 4.8 45.0 1.0 CD1 C:LEU75 5.0 43.4 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