Iron in PDB 1i7h: Crystal Sturcuture of Fdx

The structure of Crystal Sturcuture of Fdx, PDB code: 1i7h was solved by Y.Kakuta, T.Horio, Y.Takahashi, K.Fukuyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.57 / 1.70
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	107.501, 107.501, 85.682, 90.00, 90.00, 120.00
R / Rfree (%)	26.2 / 28.2

The binding sites of Iron atom in the Crystal Sturcuture of Fdx (pdb code 1i7h). 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 Sturcuture of Fdx, PDB code: 1i7h:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Crystal Sturcuture of Fdx


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Sturcuture of Fdx within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1112 b:29.2 occ:1.00 FE1 A:FES1112 0.0 29.2 1.0 S1 A:FES1112 2.2 28.7 1.0 S2 A:FES1112 2.2 26.5 1.0 SG A:CYS48 2.4 31.8 1.0 SG A:CYS42 2.4 31.3 1.0 FE2 A:FES1112 2.7 26.8 1.0 CB A:CYS48 3.6 30.4 1.0 CB A:CYS42 3.6 33.4 1.0 N A:CYS48 3.7 30.5 1.0 N A:CYS42 3.9 33.5 1.0 CA A:CYS48 4.0 29.6 1.0 N A:ALA47 4.1 34.0 1.0 CA A:CYS42 4.2 33.8 1.0 C A:CYS48 4.2 28.3 1.0 N A:CYS46 4.3 36.2 1.0 O A:CYS48 4.3 28.5 1.0 N A:LYS44 4.4 34.4 1.0 N A:SER45 4.5 36.6 1.0 C A:CYS42 4.5 35.1 1.0 SG A:CYS51 4.5 20.2 1.0 C A:ALA47 4.6 32.6 1.0 SG A:CYS87 4.6 25.7 1.0 CA A:LYS44 4.7 34.7 1.0 N A:GLU43 4.7 35.2 1.0 OG1 A:THR50 4.7 20.9 1.0 CA A:CYS46 4.8 36.2 1.0 N A:ALA41 4.8 31.1 1.0 N A:THR49 4.8 27.4 1.0 C A:HIS40 4.9 31.7 1.0 CA A:ALA47 4.9 32.8 1.0 C A:CYS46 4.9 34.9 1.0 CA A:HIS40 5.0 30.4 1.0 O A:CYS42 5.0 35.7 1.0

Iron binding site 2 out of 6 in the Crystal Sturcuture of Fdx


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Sturcuture of Fdx within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1112 b:26.8 occ:1.00 FE2 A:FES1112 0.0 26.8 1.0 S1 A:FES1112 2.2 28.7 1.0 S2 A:FES1112 2.2 26.5 1.0 SG A:CYS51 2.4 20.2 1.0 SG A:CYS87 2.4 25.7 1.0 FE1 A:FES1112 2.7 29.2 1.0 CB A:CYS87 3.3 25.8 1.0 CB A:CYS51 3.4 19.0 1.0 N A:CYS87 4.3 26.6 1.0 CA A:LYS44 4.4 34.7 1.0 CA A:CYS87 4.4 26.6 1.0 SG A:CYS48 4.5 31.8 1.0 CB A:LEU85 4.5 25.9 1.0 CA A:CYS51 4.6 18.3 1.0 SG A:CYS42 4.6 31.3 1.0 N A:CYS46 4.7 36.2 1.0 N A:CYS51 4.7 19.8 1.0 N A:LYS44 4.7 34.4 1.0 CA A:CYS46 4.9 36.2 1.0 C A:LYS44 5.0 35.5 1.0

Iron binding site 3 out of 6 in the Crystal Sturcuture of Fdx


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Sturcuture of Fdx within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2112 b:19.3 occ:1.00 FE1 B:FES2112 0.0 19.3 1.0 S1 B:FES2112 2.2 21.0 1.0 S2 B:FES2112 2.2 21.5 1.0 SG B:CYS42 2.2 22.2 1.0 SG B:CYS48 2.4 23.2 1.0 FE2 B:FES2112 2.7 19.8 1.0 CB B:CYS42 3.5 23.5 1.0 N B:CYS48 3.6 21.0 1.0 CB B:CYS48 3.6 21.3 1.0 N B:CYS42 3.9 24.7 1.0 CA B:CYS48 4.0 20.8 1.0 N B:ALA47 4.1 26.2 1.0 CA B:CYS42 4.1 24.8 1.0 C B:CYS48 4.2 19.8 1.0 N B:SER45 4.3 28.0 1.0 N B:CYS46 4.4 26.2 1.0 O B:CYS48 4.4 19.6 1.0 C B:ALA47 4.4 24.2 1.0 N B:LYS44 4.4 29.3 1.0 SG B:CYS87 4.5 20.0 1.0 SG B:CYS51 4.5 16.6 1.0 C B:CYS42 4.5 25.5 1.0 OG1 B:THR50 4.6 15.6 1.0 CA B:LYS44 4.7 27.8 1.0 N B:GLU43 4.7 25.5 1.0 CA B:ALA47 4.7 25.1 1.0 CA B:CYS46 4.8 26.2 1.0 C B:HIS40 4.9 25.3 1.0 N B:THR49 4.9 19.7 1.0 N B:ALA41 4.9 24.5 1.0 C B:CYS46 4.9 26.7 1.0 C B:LYS44 5.0 27.7 1.0 CA B:HIS40 5.0 24.6 1.0

Iron binding site 4 out of 6 in the Crystal Sturcuture of Fdx


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Sturcuture of Fdx within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2112 b:19.8 occ:1.00 FE2 B:FES2112 0.0 19.8 1.0 S1 B:FES2112 2.2 21.0 1.0 S2 B:FES2112 2.2 21.5 1.0 SG B:CYS87 2.3 20.0 1.0 SG B:CYS51 2.3 16.6 1.0 FE1 B:FES2112 2.7 19.3 1.0 CB B:CYS87 3.3 21.9 1.0 CB B:CYS51 3.5 12.6 1.0 N B:CYS87 4.3 21.5 1.0 CA B:LYS44 4.3 27.8 1.0 CA B:CYS87 4.4 21.7 1.0 SG B:CYS48 4.5 23.2 1.0 SG B:CYS42 4.5 22.2 1.0 CB B:LEU85 4.5 17.6 1.0 N B:CYS46 4.6 26.2 1.0 CA B:CYS51 4.7 15.2 1.0 N B:CYS51 4.7 15.9 1.0 N B:LYS44 4.7 29.3 1.0 CD1 B:LEU85 4.9 18.6 1.0 N B:SER45 4.9 28.0 1.0 C B:LYS44 4.9 27.7 1.0 CA B:CYS46 4.9 26.2 1.0 CD2 B:LEU85 5.0 17.3 1.0

Iron binding site 5 out of 6 in the Crystal Sturcuture of Fdx


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Sturcuture of Fdx within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe3112 b:33.4 occ:1.00 FE1 C:FES3112 0.0 33.4 1.0 S1 C:FES3112 2.2 33.3 1.0 S2 C:FES3112 2.2 32.5 1.0 SG C:CYS48 2.4 33.5 1.0 SG C:CYS42 2.4 37.3 1.0 FE2 C:FES3112 2.7 29.1 1.0 CB C:CYS42 3.5 37.7 1.0 CB C:CYS48 3.5 32.8 1.0 N C:CYS48 3.5 34.2 1.0 N C:CYS42 3.8 39.3 1.0 CA C:CYS48 3.9 33.0 1.0 C C:CYS48 4.0 32.0 1.0 N C:ALA47 4.1 35.1 1.0 O C:CYS48 4.1 30.5 1.0 CA C:CYS42 4.1 39.2 1.0 N C:CYS46 4.3 36.9 1.0 N C:SER45 4.4 37.5 1.0 C C:ALA47 4.4 35.5 1.0 N C:LYS44 4.5 37.7 1.0 SG C:CYS51 4.5 25.3 1.0 C C:CYS42 4.5 39.2 1.0 SG C:CYS87 4.6 30.5 1.0 N C:THR49 4.7 31.6 1.0 CA C:LYS44 4.7 36.8 1.0 OG1 C:THR50 4.7 28.6 1.0 CA C:CYS46 4.7 36.6 1.0 CA C:ALA47 4.8 35.4 1.0 N C:ALA41 4.9 38.1 1.0 C C:CYS46 4.9 35.5 1.0 N C:GLU43 4.9 39.1 1.0 O C:CYS42 4.9 39.6 1.0 C C:ALA41 5.0 39.8 1.0

Iron binding site 6 out of 6 in the Crystal Sturcuture of Fdx


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Sturcuture of Fdx within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe3112 b:29.1 occ:1.00 FE2 C:FES3112 0.0 29.1 1.0 S1 C:FES3112 2.2 33.3 1.0 S2 C:FES3112 2.2 32.5 1.0 SG C:CYS51 2.4 25.3 1.0 SG C:CYS87 2.4 30.5 1.0 FE1 C:FES3112 2.7 33.4 1.0 CB C:CYS87 3.3 26.9 1.0 CB C:CYS51 3.4 27.2 1.0 CA C:LYS44 4.2 36.8 1.0 N C:CYS87 4.4 26.8 1.0 CA C:CYS87 4.5 28.9 1.0 SG C:CYS48 4.5 33.5 1.0 SG C:CYS42 4.5 37.3 1.0 CB C:LEU85 4.5 26.6 1.0 N C:CYS46 4.6 36.9 1.0 CA C:CYS51 4.6 26.1 1.0 N C:LYS44 4.7 37.7 1.0 N C:CYS51 4.7 26.3 1.0 C C:LYS44 4.8 37.3 1.0 N C:SER45 4.8 37.5 1.0 CA C:CYS46 4.9 36.6 1.0 O C:CYS48 5.0 30.5 1.0 CD1 C:LEU85 5.0 29.1 1.0

Y.Kakuta, T.Horio, Y.Takahashi, K.Fukuyama. Crystal Structure of Escherichia Coli Fdx, An Adrenodoxin-Type Ferredoxin Involved in the Assembly of Iron-Sulfur Clusters. Biochemistry V. 40 11007 2001.
ISSN: ISSN 0006-2960
PubMed: 11551196
DOI: 10.1021/BI010544T