Iron in PDB 1iue: Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum

The structure of Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum, PDB code: 1iue was solved by Y.Kimata-Ariga, G.Kurisu, T.Hase, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.36 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.000, 50.573, 52.480, 90.00, 115.53, 90.00
R / Rfree (%)	18.4 / 22.1

The structure of Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Iron atom in the Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum (pdb code 1iue). 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 Analysis of Ferredoxin From Plasmodium Falciparum, PDB code: 1iue:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1099 b:7.0 occ:1.00 FE1 A:FES1099 0.0 7.0 1.0 S1 A:FES1099 2.2 6.3 1.0 S2 A:FES1099 2.2 5.9 1.0 SG A:CYS47 2.3 5.6 1.0 SG A:CYS77 2.4 5.6 1.0 FE2 A:FES1099 2.7 7.2 1.0 CB A:CYS77 3.2 4.2 1.0 CB A:CYS47 3.3 3.3 1.0 N A:GLY42 4.2 5.9 1.0 N A:CYS77 4.2 4.8 1.0 N A:CYS47 4.3 4.6 1.0 CB A:LEU75 4.3 3.6 1.0 CA A:CYS77 4.3 4.6 1.0 N A:ARG40 4.4 6.7 1.0 CA A:CYS47 4.4 3.8 1.0 CA A:ARG40 4.4 6.2 1.0 SG A:CYS39 4.5 7.4 1.0 CA A:GLY42 4.5 7.6 1.0 SG A:CYS44 4.6 5.9 1.0 N A:GLY41 4.7 7.5 1.0 O A:CYS44 4.8 7.2 1.0 C A:ARG40 4.8 7.7 1.0 CD1 A:LEU75 4.9 4.2 1.0

Iron binding site 2 out of 4 in the Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1099 b:7.2 occ:1.00 FE2 A:FES1099 0.0 7.2 1.0 S1 A:FES1099 2.2 6.3 1.0 S2 A:FES1099 2.2 5.9 1.0 SG A:CYS44 2.3 5.9 1.0 SG A:CYS39 2.4 7.4 1.0 FE1 A:FES1099 2.7 7.0 1.0 CB A:CYS44 3.4 4.5 1.0 CB A:CYS39 3.5 8.7 1.0 N A:CYS44 3.6 7.1 1.0 N A:ARG40 3.6 6.7 1.0 N A:CYS39 3.7 7.2 1.0 CA A:CYS44 3.8 6.0 1.0 CA A:CYS39 4.0 8.0 1.0 C A:CYS44 4.0 6.9 1.0 O A:CYS44 4.0 7.2 1.0 C A:CYS39 4.2 7.4 1.0 OG A:SER38 4.2 11.2 1.0 N A:GLY42 4.3 5.9 1.0 N A:GLY41 4.4 7.5 1.0 SG A:CYS77 4.4 5.6 1.0 N A:SER43 4.5 8.2 1.0 CA A:ARG40 4.5 6.2 1.0 SG A:CYS47 4.6 5.6 1.0 N A:SER45 4.6 6.0 1.0 N A:SER38 4.7 7.5 1.0 C A:SER38 4.7 7.8 1.0 N A:THR46 4.7 5.6 1.0 C A:SER43 4.7 6.8 1.0 CA A:GLY42 4.8 7.6 1.0 C A:GLY42 4.9 7.3 1.0 C A:ARG40 4.9 7.7 1.0 CB A:THR46 4.9 6.2 1.0 N A:CYS47 4.9 4.6 1.0 OG1 A:THR46 5.0 6.5 1.0

Iron binding site 3 out of 4 in the Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1100 b:7.0 occ:1.00 FE1 B:FES1100 0.0 7.0 1.0 S1 B:FES1100 2.2 7.0 1.0 S2 B:FES1100 2.2 6.9 1.0 SG B:CYS47 2.3 6.7 1.0 SG B:CYS77 2.4 7.6 1.0 FE2 B:FES1100 2.7 7.7 1.0 CB B:CYS77 3.3 6.1 1.0 CB B:CYS47 3.4 4.2 1.0 N B:GLY42 4.2 6.6 1.0 N B:CYS47 4.2 5.6 1.0 N B:CYS77 4.3 6.4 1.0 CB B:LEU75 4.3 4.4 1.0 CA B:CYS77 4.4 5.4 1.0 N B:ARG40 4.4 5.3 1.0 CA B:CYS47 4.4 4.8 1.0 CA B:GLY42 4.4 7.8 1.0 CA B:ARG40 4.4 6.0 1.0 SG B:CYS39 4.4 8.3 1.0 SG B:CYS44 4.6 6.3 1.0 N B:GLY41 4.8 8.4 1.0 C B:ARG40 4.8 7.4 1.0 O B:CYS44 4.9 8.2 1.0 CD1 B:LEU75 4.9 3.3 1.0

Iron binding site 4 out of 4 in the Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure Analysis of Ferredoxin From Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1100 b:7.7 occ:1.00 FE2 B:FES1100 0.0 7.7 1.0 S1 B:FES1100 2.2 7.0 1.0 S2 B:FES1100 2.2 6.9 1.0 SG B:CYS44 2.3 6.3 1.0 SG B:CYS39 2.4 8.3 1.0 FE1 B:FES1100 2.7 7.0 1.0 CB B:CYS44 3.4 7.7 1.0 CB B:CYS39 3.5 8.8 1.0 N B:CYS44 3.6 7.2 1.0 N B:ARG40 3.6 5.3 1.0 N B:CYS39 3.7 8.4 1.0 CA B:CYS44 3.8 7.9 1.0 C B:CYS44 4.0 7.7 1.0 CA B:CYS39 4.0 6.8 1.0 O B:CYS44 4.1 8.2 1.0 C B:CYS39 4.2 7.1 1.0 N B:GLY42 4.3 6.6 1.0 OG B:SER38 4.3 8.6 1.0 SG B:CYS77 4.4 7.6 1.0 N B:SER43 4.4 8.4 1.0 N B:GLY41 4.4 8.4 1.0 CA B:ARG40 4.5 6.0 1.0 N B:SER45 4.6 7.1 1.0 SG B:CYS47 4.6 6.7 1.0 N B:SER38 4.7 6.0 1.0 N B:THR46 4.7 5.4 1.0 CA B:GLY42 4.7 7.8 1.0 C B:SER43 4.7 7.7 1.0 C B:SER38 4.8 7.4 1.0 C B:GLY42 4.9 7.7 1.0 N B:CYS47 4.9 5.6 1.0 CB B:THR46 4.9 7.0 1.0 C B:ARG40 5.0 7.4 1.0 OG1 B:THR46 5.0 6.9 1.0

Y.Kimata-Ariga, G.Kurisu, T.Hase. Redox Power Generator of A Nonphotosynthetic Plastid in Malaria Parasite To Be Published.