Iron in PDB 7akt: Crpetf Variant - A39G_A41V

The structure of Crpetf Variant - A39G_A41V, PDB code: 7akt was solved by G.Kurisu, Y.Ohnishi, V.Engelbrecht, T.Happe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.81 / 1.11
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	25.966, 51.231, 32.255, 90, 112.13, 90
R / Rfree (%)	17.5 / 19.1

The structure of Crpetf Variant - A39G_A41V also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Iron atom in the Crpetf Variant - A39G_A41V (pdb code 7akt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crpetf Variant - A39G_A41V, PDB code: 7akt:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crpetf Variant - A39G_A41V


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crpetf Variant - A39G_A41V within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:9.9 occ:1.00 FE1 A:FES101 0.0 9.9 1.0 S2 A:FES101 2.2 10.2 1.0 S1 A:FES101 2.2 10.2 1.0 SG A:CYS42 2.3 10.3 1.0 SG A:CYS37 2.3 10.2 1.0 FE2 A:FES101 2.7 9.6 1.0 CB A:CYS42 3.4 11.7 1.0 CB A:CYS37 3.5 11.0 1.0 N A:CYS37 3.5 11.2 1.0 N A:CYS42 3.5 10.7 1.0 CA A:CYS42 3.8 10.9 1.0 N A:ARG38 3.9 11.6 1.0 CA A:CYS37 3.9 11.9 1.0 C A:CYS42 3.9 10.4 1.0 O A:CYS42 4.0 11.9 1.0 N A:VAL41 4.3 10.1 1.0 C A:CYS37 4.3 12.9 1.0 SG A:CYS75 4.3 9.7 1.0 N A:GLY40 4.4 9.9 1.0 C A:VAL41 4.5 10.8 1.0 SG A:CYS45 4.5 9.9 1.0 N A:GLY39 4.5 10.8 1.0 N A:SER36 4.6 10.8 1.0 N A:SER44 4.6 10.7 0.6 N A:SER44 4.6 10.8 0.4 C A:SER36 4.6 12.2 1.0 N A:SER43 4.7 11.2 1.0 CB A:SER44 4.8 11.4 0.6 CA A:ARG38 4.8 11.4 1.0 CB A:SER44 4.8 11.5 0.4 CA A:GLY40 4.9 10.0 1.0 C A:GLY40 4.9 10.5 1.0 N A:CYS45 5.0 11.2 1.0

Iron binding site 2 out of 2 in the Crpetf Variant - A39G_A41V


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crpetf Variant - A39G_A41V within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:9.6 occ:1.00 FE2 A:FES101 0.0 9.6 1.0 S2 A:FES101 2.2 10.2 1.0 S1 A:FES101 2.2 10.2 1.0 SG A:CYS45 2.3 9.9 1.0 SG A:CYS75 2.3 9.7 1.0 FE1 A:FES101 2.7 9.9 1.0 CB A:CYS75 3.2 10.0 1.0 CB A:CYS45 3.3 11.2 1.0 N A:CYS75 4.1 9.7 1.0 CA A:CYS75 4.3 10.4 1.0 N A:CYS45 4.3 11.2 1.0 SG A:CYS37 4.3 10.2 1.0 N A:GLY40 4.4 9.9 1.0 CA A:CYS45 4.4 11.0 1.0 N A:ARG38 4.4 11.6 1.0 CB A:LEU73 4.5 10.1 1.0 SG A:CYS42 4.6 10.3 1.0 CA A:ARG38 4.6 11.4 1.0 CA A:GLY40 4.7 10.0 1.0 O A:CYS42 4.8 11.9 1.0 N A:GLY39 4.8 10.8 1.0

V.Engelbrecht, A.Hemschemeier, M.Heghmanns, J.Thomsen, A.Rutz, S.Yadav, Y.Ohnishi, U.-P.Apfel, M.Kasanmascheff, G.Kurisu, T.Happe. Ferredoxin 2.0: An Electron Transfer Protein Designed Into A Photosystem I-Driven Hydrogenase To Be Published.