Iron in PDB 3zyy: Reductive Activator For Corrinoid,Iron-Sulfur Protein

The structure of Reductive Activator For Corrinoid,Iron-Sulfur Protein, PDB code: 3zyy was solved by S.E.Hennig, J.-H.Jeoung, S.Goetzl, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.936 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.527, 91.191, 252.887, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 25.8

The structure of Reductive Activator For Corrinoid,Iron-Sulfur Protein also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Iron atom in the Reductive Activator For Corrinoid,Iron-Sulfur Protein (pdb code 3zyy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Reductive Activator For Corrinoid,Iron-Sulfur Protein, PDB code: 3zyy:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Reductive Activator For Corrinoid,Iron-Sulfur Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Reductive Activator For Corrinoid,Iron-Sulfur Protein within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe800 b:0.8 occ:0.64 FE1 X:FES800 0.0 0.8 0.6 S1 X:FES800 2.2 0.2 0.6 S2 X:FES800 2.2 0.9 0.6 SG X:CYS77 2.3 0.7 1.0 SG X:CYS47 2.3 0.5 1.0 FE2 X:FES800 3.1 0.4 0.6 CB X:CYS77 3.2 0.2 1.0 CB X:CYS47 3.3 0.8 1.0 N X:GLY40 3.8 0.5 1.0 C X:GLY39 3.9 0.4 1.0 N X:GLY39 4.1 0.7 1.0 CA X:GLY39 4.2 0.7 1.0 O X:GLY39 4.3 0.1 1.0 CA X:GLY40 4.3 0.7 1.0 CA X:CYS77 4.4 0.9 1.0 N X:CYS77 4.4 1.0 1.0 SG X:CYS44 4.5 0.2 0.6 CD1 X:LEU75 4.6 0.1 1.0 CA X:CYS47 4.7 0.5 1.0 CB X:LEU75 4.7 0.0 1.0 CA X:GLY42 4.8 0.6 1.0 SD X:MET24 4.9 0.3 1.0 CB X:CYS38 4.9 0.9 0.8 SG X:CYS38 4.9 0.6 0.8

Iron binding site 2 out of 2 in the Reductive Activator For Corrinoid,Iron-Sulfur Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Reductive Activator For Corrinoid,Iron-Sulfur Protein within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe800 b:0.4 occ:0.64 FE2 X:FES800 0.0 0.4 0.6 S2 X:FES800 2.2 0.9 0.6 S1 X:FES800 2.2 0.2 0.6 SG X:CYS38 2.3 0.6 0.8 SG X:CYS44 2.3 0.2 0.6 FE1 X:FES800 3.1 0.8 0.6 CB X:CYS44 3.2 0.1 0.6 CB X:CYS38 3.3 0.9 0.8 SG X:CYS47 3.6 0.5 1.0 N X:CYS38 3.7 0.2 0.8 CA X:CYS38 4.1 0.1 0.8 N X:GLY39 4.2 0.7 1.0 CA X:CYS44 4.4 0.7 0.6 N X:GLY40 4.5 0.5 1.0 CB X:CYS47 4.6 0.8 1.0 N X:CYS44 4.6 0.8 0.6 C X:CYS38 4.7 0.5 0.8 N X:VAL37 4.8 0.4 1.0 CB X:VAL37 4.9 0.5 1.0 C X:VAL37 4.9 0.8 1.0 N X:THR43 4.9 0.5 1.0 N X:GLY45 4.9 0.1 1.0 N X:CYS47 5.0 1.0 1.0

S.E.Hennig, J.H.Jeoung, S.Goetzl, H.Dobbek. Redox-Dependent Complex Formation By An Atp-Dependent Activator of the Corrinoid/Iron-Sulfur Protein. Proc.Natl.Acad.Sci.Usa V. 109 5235 2012.
ISSN: ISSN 0027-8424
PubMed: 22431597
DOI: 10.1073/PNAS.1117126109