Iron in PDB 1dj7: Crystal Structure of Ferredoxin Thioredoxin Reductase

The structure of Crystal Structure of Ferredoxin Thioredoxin Reductase, PDB code: 1dj7 was solved by S.Dai, C.Schwendtmayer, P.Schurmann, S.Ramaswamy, H.Eklund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	45.296, 45.296, 172.147, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 27.8

The binding sites of Iron atom in the Crystal Structure of Ferredoxin Thioredoxin Reductase (pdb code 1dj7). 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 Structure of Ferredoxin Thioredoxin Reductase, PDB code: 1dj7:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of 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 Structure of Ferredoxin Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe120 b:32.8 occ:1.00 FE1 A:SF4120 0.0 32.8 1.0 S3 A:SF4120 2.3 32.4 1.0 S4 A:SF4120 2.3 31.1 1.0 S2 A:SF4120 2.3 32.3 1.0 SG A:CYS55 2.4 31.5 1.0 FE2 A:SF4120 2.7 32.0 1.0 FE3 A:SF4120 2.8 32.0 1.0 FE4 A:SF4120 2.8 33.1 1.0 SG A:CYS87 3.1 31.8 1.0 CB A:CYS55 3.3 32.8 1.0 S1 A:SF4120 3.9 31.7 1.0 CA A:CYS55 4.0 33.7 1.0 O A:HOH137 4.1 34.5 1.0 CB A:CYS87 4.2 31.8 1.0 CD A:PRO56 4.5 35.8 1.0 SG A:CYS57 4.5 32.9 1.0 SG A:CYS76 4.7 29.6 1.0 SG A:CYS85 4.8 30.5 1.0 N A:CYS87 4.9 30.5 1.0 SG A:CYS74 4.9 32.6 1.0 C A:CYS55 4.9 33.7 1.0 N A:PRO56 5.0 34.9 1.0

Iron binding site 2 out of 4 in the Crystal Structure of 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 Structure of Ferredoxin Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe120 b:32.0 occ:1.00 FE2 A:SF4120 0.0 32.0 1.0 SG A:CYS76 2.2 29.6 1.0 S3 A:SF4120 2.3 32.4 1.0 S1 A:SF4120 2.3 31.7 1.0 S4 A:SF4120 2.3 31.1 1.0 FE1 A:SF4120 2.7 32.8 1.0 FE3 A:SF4120 2.7 32.0 1.0 FE4 A:SF4120 2.7 33.1 1.0 CB A:CYS76 3.3 31.2 1.0 N A:CYS76 3.7 32.6 1.0 S2 A:SF4120 3.9 32.3 1.0 CA A:CYS76 4.1 31.5 1.0 O A:HOH177 4.2 33.2 1.0 CB A:MET79 4.2 29.7 1.0 SG A:CYS55 4.6 31.5 1.0 SG A:CYS85 4.7 30.5 1.0 SG A:CYS74 4.8 32.6 1.0 C A:PRO75 4.8 33.6 1.0 CZ3 A:TRP72 4.8 31.2 1.0 CE3 A:TRP72 4.9 31.5 1.0 CA A:CYS85 4.9 30.0 1.0 O A:GLU84 4.9 31.7 1.0 CA A:PRO75 4.9 34.5 1.0 CB A:CYS55 5.0 32.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of 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 Structure of Ferredoxin Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe120 b:32.0 occ:1.00 FE3 A:SF4120 0.0 32.0 1.0 S4 A:SF4120 2.3 31.1 1.0 SG A:CYS85 2.3 30.5 1.0 S2 A:SF4120 2.3 32.3 1.0 S1 A:SF4120 2.3 31.7 1.0 FE4 A:SF4120 2.7 33.1 1.0 FE2 A:SF4120 2.7 32.0 1.0 FE1 A:SF4120 2.8 32.8 1.0 CB A:CYS85 3.4 29.3 1.0 CA A:CYS85 3.8 30.0 1.0 S3 A:SF4120 3.9 32.4 1.0 CB A:CYS87 4.2 31.8 1.0 SG A:CYS87 4.3 31.8 1.0 C A:CYS85 4.3 30.1 1.0 N A:CYS87 4.3 30.5 1.0 N A:HIS86 4.5 29.4 1.0 CD2 A:PHE90 4.5 32.8 1.0 CB A:LEU89 4.6 32.9 1.0 SG A:CYS76 4.7 29.6 1.0 CA A:CYS87 4.8 31.3 1.0 SG A:CYS74 4.9 32.6 1.0 CE2 A:PHE90 4.9 33.4 1.0 O A:CYS85 5.0 31.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of 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 Structure of Ferredoxin Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe120 b:33.1 occ:1.00 FE4 A:SF4120 0.0 33.1 1.0 S2 A:SF4120 2.3 32.3 1.0 S1 A:SF4120 2.3 31.7 1.0 S3 A:SF4120 2.3 32.4 1.0 SG A:CYS74 2.3 32.6 1.0 FE3 A:SF4120 2.7 32.0 1.0 FE2 A:SF4120 2.7 32.0 1.0 FE1 A:SF4120 2.8 32.8 1.0 CB A:CYS74 3.4 35.2 1.0 S4 A:SF4120 3.9 31.1 1.0 CA A:CYS74 4.0 34.6 1.0 CA A:PRO75 4.4 34.5 1.0 CE2 A:PHE90 4.5 33.4 1.0 N A:CYS76 4.5 32.6 1.0 N A:PRO75 4.7 35.0 1.0 CD2 A:LEU43 4.7 34.9 1.0 SG A:CYS76 4.7 29.6 1.0 CD2 A:LEU89 4.8 33.6 1.0 SG A:CYS85 4.8 30.5 1.0 CD2 A:PHE90 4.9 32.8 1.0 C A:CYS74 4.9 35.1 1.0 N A:CYS74 4.9 35.8 1.0 SG A:CYS55 4.9 31.5 1.0 CD1 A:LEU43 5.0 36.3 1.0

S.Dai, C.Schwendtmayer, P.Schurmann, S.Ramaswamy, H.Eklund. Redox Signaling in Chloroplasts: Cleavage of Disulfides By An Iron-Sulfur Cluster. Science V. 287 655 2000.
ISSN: ISSN 0036-8075
PubMed: 10649999
DOI: 10.1126/SCIENCE.287.5453.655