Iron in PDB 7c3f: Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex

All present enzymatic activity of Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex:
1.8.7.2;

The structure of Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex, PDB code: 7c3f was solved by G.Kurisu, L.Juniar, H.Tanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.57 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	174.262, 137.209, 192.457, 90.00, 90.21, 90.00
R / Rfree (%)	21 / 24.5

The structure of Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex also contains other interesting chemical elements:

Sodium

(Na)

10 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex (pdb code 7c3f). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 28 binding sites of Iron where determined in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex, PDB code: 7c3f:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 28 in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex


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 and Thioredoxin M2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:44.9 occ:1.00 FE1 A:SF4201 0.0 44.9 1.0 S3 A:SF4201 2.3 39.0 1.0 S2 A:SF4201 2.3 37.3 1.0 S4 A:SF4201 2.3 38.9 1.0 SG A:CYS54 2.7 41.6 1.0 FE4 A:SF4201 2.7 41.1 1.0 FE2 A:SF4201 2.7 39.0 1.0 FE3 A:SF4201 2.8 41.1 1.0 SG A:CYS86 2.9 61.7 1.0 CB A:CYS54 3.6 35.1 1.0 S1 A:SF4201 3.9 36.7 1.0 CA A:CYS54 4.1 32.7 1.0 CB A:CYS86 4.1 50.6 1.0 CD A:PRO55 4.2 36.4 1.0 CE1 A:HIS85 4.7 43.5 1.0 N A:CYS86 4.9 36.4 1.0 N A:PRO55 4.9 39.4 1.0 C A:CYS54 4.9 42.0 1.0 ND1 A:HIS85 5.0 50.1 1.0

Iron binding site 2 out of 28 in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex


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 and Thioredoxin M2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:39.0 occ:1.00 FE2 A:SF4201 0.0 39.0 1.0 S4 A:SF4201 2.3 38.9 1.0 S1 A:SF4201 2.3 36.7 1.0 S3 A:SF4201 2.3 39.0 1.0 SG A:CYS75 2.6 43.9 1.0 FE1 A:SF4201 2.7 44.9 1.0 FE3 A:SF4201 2.7 41.1 1.0 FE4 A:SF4201 2.7 41.1 1.0 CB A:CYS75 3.1 40.5 1.0 N A:CYS75 3.5 53.8 1.0 S2 A:SF4201 3.9 37.3 1.0 CA A:CYS75 3.9 45.1 1.0 O A:HOH323 4.0 42.8 1.0 CB A:MET78 4.3 44.2 1.0 C A:PRO74 4.6 41.0 1.0 SG A:CYS54 4.6 41.6 1.0 CZ3 A:TRP71 4.7 37.7 1.0 CE3 A:TRP71 4.8 32.2 1.0 CA A:PRO74 4.8 45.3 1.0 C A:CYS75 4.8 46.9 1.0 O A:CYS75 4.9 47.7 1.0 CB A:CYS54 4.9 35.1 1.0 O A:GLU83 5.0 46.0 1.0 CA A:CYS84 5.0 41.4 1.0

Iron binding site 3 out of 28 in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex


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 and Thioredoxin M2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:41.1 occ:1.00 FE3 A:SF4201 0.0 41.1 1.0 S1 A:SF4201 2.3 36.7 1.0 S2 A:SF4201 2.3 37.3 1.0 S4 A:SF4201 2.3 38.9 1.0 SG A:CYS73 2.7 42.7 1.0 FE4 A:SF4201 2.7 41.1 1.0 FE2 A:SF4201 2.7 39.0 1.0 FE1 A:SF4201 2.8 44.9 1.0 CB A:CYS73 3.2 42.4 1.0 S3 A:SF4201 3.9 39.0 1.0 CA A:CYS73 3.9 46.8 1.0 CA A:PRO74 4.3 45.3 1.0 N A:CYS75 4.3 53.8 1.0 CE2 A:PHE89 4.5 39.1 1.0 CD2 A:LEU42 4.6 42.3 1.0 CD1 A:LEU42 4.7 43.2 1.0 CD2 A:LEU88 4.8 37.5 1.0 C A:CYS73 4.8 40.0 1.0 C A:PRO74 4.9 41.0 1.0 N A:PRO74 4.9 42.8 1.0 CD2 A:PHE89 4.9 43.1 1.0 N A:CYS73 5.0 44.2 1.0

Iron binding site 4 out of 28 in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex


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 and Thioredoxin M2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:41.1 occ:1.00 FE4 A:SF4201 0.0 41.1 1.0 S2 A:SF4201 2.3 37.3 1.0 S1 A:SF4201 2.3 36.7 1.0 S3 A:SF4201 2.3 39.0 1.0 SG A:CYS84 2.6 51.7 1.0 FE1 A:SF4201 2.7 44.9 1.0 FE3 A:SF4201 2.7 41.1 1.0 FE2 A:SF4201 2.7 39.0 1.0 CB A:CYS84 3.3 36.0 1.0 CA A:CYS84 3.8 41.4 1.0 S4 A:SF4201 3.9 38.9 1.0 SG A:CYS86 4.1 61.7 1.0 C A:CYS84 4.3 44.0 1.0 CB A:CYS86 4.3 50.6 1.0 N A:CYS86 4.4 36.4 1.0 N A:HIS85 4.5 44.2 1.0 CD2 A:PHE89 4.5 43.1 1.0 CB A:LEU88 4.6 35.0 1.0 CE2 A:PHE89 4.8 39.1 1.0 O A:HOH323 4.9 42.8 1.0 CA A:CYS86 4.9 46.8 1.0 SG A:CYS75 4.9 43.9 1.0

Iron binding site 5 out of 28 in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex


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 Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:44.4 occ:1.00 FE1 D:SF4201 0.0 44.4 1.0 S4 D:SF4201 2.3 40.6 1.0 S3 D:SF4201 2.3 36.8 1.0 S2 D:SF4201 2.3 36.7 1.0 FE2 D:SF4201 2.7 41.9 1.0 FE3 D:SF4201 2.7 38.8 1.0 FE4 D:SF4201 2.8 41.5 1.0 SG D:CYS54 2.9 51.6 1.0 SG D:CYS86 3.0 52.8 1.0 CB D:CYS54 3.6 46.7 1.0 CB D:CYS86 3.9 36.3 1.0 S1 D:SF4201 3.9 38.4 1.0 CA D:CYS54 4.1 41.5 1.0 CD D:PRO55 4.3 41.4 1.0 CE1 D:HIS85 4.6 44.0 1.0 N D:CYS86 4.8 43.0 1.0 N D:PRO55 4.9 44.5 1.0 C D:CYS54 4.9 43.8 1.0 CA D:CYS86 5.0 39.9 1.0 ND1 D:HIS85 5.0 56.1 1.0

Iron binding site 6 out of 28 in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex


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 Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:41.9 occ:1.00 FE2 D:SF4201 0.0 41.9 1.0 S3 D:SF4201 2.3 36.8 1.0 S4 D:SF4201 2.3 40.6 1.0 S1 D:SF4201 2.3 38.4 1.0 SG D:CYS84 2.7 47.2 1.0 FE1 D:SF4201 2.7 44.4 1.0 FE4 D:SF4201 2.7 41.5 1.0 FE3 D:SF4201 2.7 38.8 1.0 CB D:CYS84 3.4 39.3 1.0 CA D:CYS84 3.8 43.4 1.0 S2 D:SF4201 3.9 36.7 1.0 CB D:CYS86 4.0 36.3 1.0 N D:CYS86 4.3 43.0 1.0 C D:CYS84 4.4 44.0 1.0 SG D:CYS86 4.4 52.8 1.0 CB D:LEU88 4.5 36.5 1.0 N D:HIS85 4.5 41.1 1.0 CD2 D:PHE89 4.6 40.9 1.0 CA D:CYS86 4.7 39.9 1.0 CD2 D:LEU88 4.9 33.8 1.0 CE2 D:PHE89 5.0 27.1 1.0 SG D:CYS75 5.0 48.2 1.0

Iron binding site 7 out of 28 in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex


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 Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:38.8 occ:1.00 FE3 D:SF4201 0.0 38.8 1.0 S2 D:SF4201 2.2 36.7 1.0 S1 D:SF4201 2.3 38.4 1.0 S4 D:SF4201 2.3 40.6 1.0 SG D:CYS75 2.6 48.2 1.0 FE4 D:SF4201 2.7 41.5 1.0 FE1 D:SF4201 2.7 44.4 1.0 FE2 D:SF4201 2.7 41.9 1.0 CB D:CYS75 3.1 40.3 1.0 N D:CYS75 3.6 40.8 1.0 S3 D:SF4201 3.9 36.8 1.0 CA D:CYS75 4.0 40.3 1.0 CB D:MET78 4.3 42.3 1.0 O D:HOH319 4.5 40.9 1.0 C D:PRO74 4.7 47.6 1.0 SG D:CYS54 4.7 51.6 1.0 CZ3 D:TRP71 4.8 33.5 1.0 CE3 D:TRP71 4.9 36.1 1.0 CA D:PRO74 4.9 51.3 1.0 C D:CYS75 4.9 45.0 1.0 O D:GLU83 4.9 47.6 1.0 CB D:CYS54 5.0 46.7 1.0 CA D:CYS84 5.0 43.4 1.0

Iron binding site 8 out of 28 in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex


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 Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:41.5 occ:1.00 FE4 D:SF4201 0.0 41.5 1.0 S1 D:SF4201 2.3 38.4 1.0 S2 D:SF4201 2.3 36.7 1.0 S3 D:SF4201 2.3 36.8 1.0 FE3 D:SF4201 2.7 38.8 1.0 FE2 D:SF4201 2.7 41.9 1.0 SG D:CYS73 2.7 50.0 1.0 FE1 D:SF4201 2.8 44.4 1.0 CB D:CYS73 3.3 39.2 1.0 S4 D:SF4201 3.9 40.6 1.0 CA D:CYS73 3.9 53.6 1.0 N D:CYS75 4.4 40.8 1.0 CA D:PRO74 4.4 51.3 1.0 CD2 D:LEU42 4.5 36.7 1.0 CE2 D:PHE89 4.6 27.1 1.0 CD2 D:LEU88 4.7 33.8 1.0 CD1 D:LEU42 4.8 39.6 1.0 C D:CYS73 4.9 38.0 1.0 N D:CYS73 5.0 49.0 1.0 CD2 D:PHE89 5.0 40.9 1.0 C D:PRO74 5.0 47.6 1.0

Iron binding site 9 out of 28 in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe201 b:47.5 occ:1.00 FE1 G:SF4201 0.0 47.5 1.0 S3 G:SF4201 2.3 40.1 1.0 S2 G:SF4201 2.3 40.6 1.0 S4 G:SF4201 2.3 37.0 1.0 FE4 G:SF4201 2.7 42.4 1.0 FE2 G:SF4201 2.7 42.9 1.0 FE3 G:SF4201 2.8 43.8 1.0 SG G:CYS86 2.9 55.4 1.0 SG G:CYS54 3.0 53.9 1.0 CB G:CYS54 3.7 39.1 1.0 S1 G:SF4201 3.9 44.4 1.0 CB G:CYS86 3.9 44.1 1.0 CA G:CYS54 4.2 36.4 1.0 CD G:PRO55 4.3 29.9 1.0 SG G:CYS84 4.7 49.0 1.0 CE1 G:HIS85 4.7 46.2 1.0 N G:CYS86 4.8 48.3 1.0 ND1 G:HIS85 4.9 57.2 1.0 N G:PRO55 5.0 41.1 1.0 CA G:CYS86 5.0 42.4 1.0

Iron binding site 10 out of 28 in the Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Ferredoxin: Thioredoxin Reductase and Thioredoxin M2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe201 b:42.9 occ:1.00 FE2 G:SF4201 0.0 42.9 1.0 S4 G:SF4201 2.3 37.0 1.0 S1 G:SF4201 2.3 44.4 1.0 S3 G:SF4201 2.3 40.1 1.0 SG G:CYS75 2.6 46.6 1.0 FE3 G:SF4201 2.7 43.8 1.0 FE1 G:SF4201 2.7 47.5 1.0 FE4 G:SF4201 2.7 42.4 1.0 CB G:CYS75 3.2 48.3 1.0 N G:CYS75 3.6 50.4 1.0 S2 G:SF4201 3.9 40.6 1.0 CA G:CYS75 4.0 47.5 1.0 CB G:MET78 4.2 54.5 1.0 O G:HOH319 4.5 49.0 1.0 C G:PRO74 4.7 39.2 1.0 CZ3 G:TRP71 4.8 45.5 1.0 SG G:CYS84 4.8 49.0 1.0 SG G:CYS54 4.8 53.9 1.0 CA G:PRO74 4.8 47.6 1.0 CA G:CYS84 4.8 43.3 1.0 C G:CYS75 4.9 49.1 1.0 O G:GLU83 4.9 53.7 1.0 O G:CYS75 4.9 48.1 1.0 CE3 G:TRP71 4.9 40.1 1.0 CB G:CYS84 4.9 40.0 1.0

L.Juniar, H.Tanaka, K.Yoshida, T.Hisabori, G.Kurisu. Structural Basis For Thioredoxin Isoform-Based Fine-Tuning of Ferredoxin-Thioredoxin Reductase Activity. Protein Sci. V. 29 2538 2020.
ISSN: ESSN 1469-896X
PubMed: 33015914
DOI: 10.1002/PRO.3964