Iron in PDB 2pvd: Crystal Srtucture of the Reduced Ferredoxin:Thioredoxin Reductase

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

Resolution Low / High (Å)	20.00 / 1.95
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	45.177, 45.177, 172.730, 90.00, 90.00, 90.00
R / Rfree (%)	26.8 / 28.4

The binding sites of Iron atom in the Crystal Srtucture of the Reduced Ferredoxin:Thioredoxin Reductase (pdb code 2pvd). 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 Reduced Ferredoxin:Thioredoxin Reductase, PDB code: 2pvd:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Srtucture of the Reduced 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 Reduced Ferredoxin:Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:33.6 occ:1.00 FE1 A:SF4202 0.0 33.6 1.0 S3 A:SF4202 2.3 31.7 1.0 S2 A:SF4202 2.3 32.9 1.0 SG A:CYS74 2.3 35.8 1.0 S4 A:SF4202 2.3 30.3 1.0 FE3 A:SF4202 2.7 34.0 1.0 FE2 A:SF4202 2.7 31.1 1.0 FE4 A:SF4202 2.8 32.8 1.0 CB A:CYS74 3.1 32.3 1.0 CA A:CYS74 3.8 34.2 1.0 S1 A:SF4202 4.0 31.7 1.0 CE1 A:PHE90 4.3 32.2 1.0 CA A:PRO75 4.4 34.8 1.0 N A:CYS76 4.5 32.4 1.0 SG A:CYS85 4.7 35.8 1.0 CD2 A:LEU43 4.7 38.0 1.0 CD1 A:PHE90 4.7 31.0 1.0 SG A:CYS76 4.8 30.0 1.0 CD2 A:LEU89 4.8 34.2 1.0 N A:CYS74 4.8 33.9 1.0 C A:CYS74 4.8 36.0 1.0 CD1 A:LEU43 4.9 35.6 1.0 N A:PRO75 5.0 35.2 1.0 C A:PRO75 5.0 33.1 1.0

Iron binding site 2 out of 4 in the Crystal Srtucture of the Reduced 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 Reduced Ferredoxin:Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:31.1 occ:1.00 FE2 A:SF4202 0.0 31.1 1.0 S4 A:SF4202 2.3 30.3 1.0 S1 A:SF4202 2.3 31.7 1.0 SG A:CYS76 2.3 30.0 1.0 S3 A:SF4202 2.3 31.7 1.0 FE3 A:SF4202 2.6 34.0 1.0 FE4 A:SF4202 2.7 32.8 1.0 FE1 A:SF4202 2.7 33.6 1.0 CB A:CYS76 3.3 34.1 1.0 N A:CYS76 3.7 32.4 1.0 S2 A:SF4202 3.9 32.9 1.0 CA A:CYS76 4.1 32.7 1.0 O A:HOH227 4.2 31.5 1.0 CB A:MET79 4.3 36.4 1.0 SG A:CYS85 4.5 35.8 1.0 CZ3 A:TRP72 4.6 34.2 1.0 CE3 A:TRP72 4.7 31.6 1.0 SG A:CYS55 4.8 33.8 1.0 SG A:CYS74 4.8 35.8 1.0 CA A:CYS85 4.8 37.9 1.0 O A:GLU84 4.8 33.0 1.0 C A:PRO75 4.8 33.1 1.0 CB A:CYS85 4.9 36.5 1.0

Iron binding site 3 out of 4 in the Crystal Srtucture of the Reduced 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 Reduced Ferredoxin:Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:34.0 occ:1.00 FE3 A:SF4202 0.0 34.0 1.0 SG A:CYS85 2.2 35.8 1.0 S1 A:SF4202 2.3 31.7 1.0 S4 A:SF4202 2.3 30.3 1.0 S2 A:SF4202 2.3 32.9 1.0 FE2 A:SF4202 2.6 31.1 1.0 FE4 A:SF4202 2.7 32.8 1.0 FE1 A:SF4202 2.7 33.6 1.0 CB A:CYS85 3.3 36.5 1.0 CA A:CYS85 3.8 37.9 1.0 S3 A:SF4202 3.9 31.7 1.0 CB A:CYS87 3.9 41.2 1.0 SG A:CYS87 4.1 50.9 1.0 C A:CYS85 4.4 37.9 1.0 CB A:LEU89 4.4 30.1 1.0 CD1 A:PHE90 4.5 31.0 1.0 N A:CYS87 4.5 42.8 1.0 SG A:CYS76 4.8 30.0 1.0 N A:HIS86 4.8 40.4 1.0 SG A:CYS74 4.8 35.8 1.0 CE1 A:PHE90 4.8 32.2 1.0 CA A:CYS87 4.8 41.9 1.0

Iron binding site 4 out of 4 in the Crystal Srtucture of the Reduced 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 Reduced Ferredoxin:Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:32.8 occ:1.00 FE4 A:SF4202 0.0 32.8 1.0 S3 A:SF4202 2.3 31.7 1.0 S2 A:SF4202 2.3 32.9 1.0 S1 A:SF4202 2.3 31.7 1.0 SG A:CYS55 2.5 33.8 1.0 FE2 A:SF4202 2.7 31.1 1.0 FE3 A:SF4202 2.7 34.0 1.0 FE1 A:SF4202 2.8 33.6 1.0 SG A:CYS87 3.2 50.9 1.0 CB A:CYS55 3.3 38.1 1.0 S4 A:SF4202 3.9 30.3 1.0 CA A:CYS55 4.1 38.6 1.0 CB A:CYS87 4.2 41.2 1.0 SG A:CYS85 4.6 35.8 1.0 NE2 A:HIS86 4.7 47.6 1.0 SG A:CYS76 4.7 30.0 1.0 CD A:PRO56 4.8 42.7 1.0 SG A:CYS74 4.9 35.8 1.0 CB A:CYS74 5.0 32.3 1.0 CD2 A:HIS86 5.0 47.0 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