Iron in PDB 5aui: Crystal Structure of Ferredoxin

The structure of Crystal Structure of Ferredoxin, PDB code: 5aui was solved by G.Kurisu, K.Shinmura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.25 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.441, 53.314, 32.278, 90.00, 92.38, 90.00
R / Rfree (%)	17.2 / 19.3

The binding sites of Iron atom in the Crystal Structure of Ferredoxin (pdb code 5aui). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Ferredoxin, PDB code: 5aui:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Ferredoxin


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:18.0 occ:1.00 FE1 A:FES101 0.0 18.0 1.0 S2 A:FES101 2.3 18.7 1.0 S1 A:FES101 2.3 17.6 1.0 SG A:CYS40 2.3 19.6 1.0 SG A:CYS45 2.3 19.7 1.0 FE2 A:FES101 2.8 17.0 1.0 CB A:CYS45 3.4 21.1 1.0 CB A:CYS40 3.5 21.7 1.0 N A:CYS40 3.5 19.9 1.0 N A:CYS45 3.6 21.6 1.0 CA A:CYS45 3.8 20.3 1.0 N A:ARG41 3.8 20.4 1.0 CA A:CYS40 3.9 21.6 1.0 C A:CYS45 4.0 21.0 1.0 O A:CYS45 4.2 24.3 1.0 C A:CYS40 4.3 21.9 1.0 N A:ALA44 4.3 19.9 1.0 N A:GLY43 4.4 19.6 1.0 SG A:CYS78 4.5 18.3 1.0 N A:ALA42 4.5 21.1 1.0 C A:ALA44 4.5 22.8 1.0 N A:THR47 4.6 17.2 1.0 C A:SER39 4.6 19.1 1.0 N A:SER39 4.6 17.4 1.0 N A:SER46 4.7 22.1 1.0 SG A:CYS48 4.7 16.5 1.0 CA A:ARG41 4.7 21.7 1.0 CB A:THR47 4.9 16.8 1.0 C A:GLY43 4.9 20.9 1.0 CA A:GLY43 4.9 19.6 1.0 CB A:SER39 5.0 20.1 1.0 CA A:ALA44 5.0 21.9 1.0 N A:CYS48 5.0 15.5 1.0 CA A:SER39 5.0 18.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Ferredoxin


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:17.0 occ:1.00 FE2 A:FES101 0.0 17.0 1.0 S2 A:FES101 2.2 18.7 1.0 S1 A:FES101 2.2 17.6 1.0 SG A:CYS78 2.3 18.3 1.0 SG A:CYS48 2.3 16.5 1.0 FE1 A:FES101 2.8 18.0 1.0 CB A:CYS78 3.2 18.3 1.0 CB A:CYS48 3.4 15.4 1.0 N A:CYS78 4.2 16.3 1.0 N A:CYS48 4.3 15.5 1.0 N A:GLY43 4.3 19.6 1.0 CA A:CYS78 4.3 17.3 1.0 N A:ARG41 4.4 20.4 1.0 SG A:CYS40 4.4 19.6 1.0 CA A:CYS48 4.5 15.1 1.0 CA A:ARG41 4.5 21.7 1.0 CB A:LEU76 4.5 17.2 1.0 CA A:GLY43 4.6 19.6 1.0 N A:ALA42 4.7 21.1 1.0 SG A:CYS45 4.7 19.7 1.0 C A:ARG41 4.9 21.7 1.0 O A:CYS45 5.0 24.3 1.0

R.Mutoh, N.Muraki, K.Shinmura, H.Kubota-Kawai, Y.H.Lee, M.M.Nowaczyk, M.Rogner, T.Hase, T.Ikegami, G.Kurisu. X-Ray Structure and Nuclear Magnetic Resonance Analysis of the Interaction Sites of the Ga-Substituted Cyanobacterial Ferredoxin Biochemistry V. 54 6052 2015.
ISSN: ISSN 0006-2960
PubMed: 26348494
DOI: 10.1021/ACS.BIOCHEM.5B00601