Iron in PDB 6o0b: Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein

All present enzymatic activity of Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein:
1.18.6.1;

The structure of Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein, PDB code: 6o0b was solved by L.A.Rettberg, M.T.Stiebritz, W.Kang, C.C.Lee, M.W.Ribbe, Y.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.27 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.071, 93.045, 60.796, 90.00, 98.88, 90.00
R / Rfree (%)	20.6 / 21.9

The binding sites of Iron atom in the Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein (pdb code 6o0b). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein, PDB code: 6o0b:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:19.6 occ:1.00 FE1 A:SF4301 0.0 19.6 1.0 SG A:CYS132 2.3 20.0 1.0 S3 A:SF4301 2.3 21.2 1.0 S2 A:SF4301 2.3 19.8 1.0 S4 A:SF4301 2.3 19.5 1.0 FE4 A:SF4301 2.7 18.7 1.0 FE3 A:SF4301 2.7 19.4 1.0 FE2 A:SF4301 2.7 19.7 1.0 CB A:CYS132 3.2 21.6 1.0 S1 A:SF4301 3.9 20.4 1.0 N A:GLY134 3.9 19.2 1.0 CA A:GLY134 4.3 20.7 1.0 CA A:CYS132 4.5 20.6 1.0 SG B:CYS132 4.7 20.7 1.0 N A:GLY133 4.8 20.2 1.0 C A:CYS132 4.8 19.2 1.0 CA B:CYS97 4.8 20.9 1.0 SG B:CYS97 4.8 20.1 1.0 O B:GLY96 4.8 21.9 1.0 SG A:CYS97 4.9 21.6 1.0 N A:PHE135 4.9 19.0 1.0 N B:ALA98 4.9 25.4 1.0

Iron binding site 2 out of 4 in the Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:19.7 occ:1.00 FE2 A:SF4301 0.0 19.7 1.0 SG B:CYS97 2.3 20.1 1.0 S3 A:SF4301 2.3 21.2 1.0 S1 A:SF4301 2.4 20.4 1.0 S4 A:SF4301 2.4 19.5 1.0 FE4 A:SF4301 2.7 18.7 1.0 FE1 A:SF4301 2.7 19.6 1.0 FE3 A:SF4301 2.8 19.4 1.0 CB B:CYS97 3.2 20.1 1.0 CA B:CYS97 3.6 20.9 1.0 S2 A:SF4301 4.0 19.8 1.0 N B:ALA98 4.0 25.4 1.0 CA B:GLY134 4.1 23.3 1.0 C B:CYS97 4.2 25.9 1.0 N B:GLY134 4.5 22.4 1.0 SG B:CYS132 4.7 20.7 1.0 N B:GLY99 4.7 24.7 1.0 SG A:CYS97 4.9 21.6 1.0 SG A:CYS132 4.9 20.0 1.0 N B:CYS97 5.0 22.7 1.0

Iron binding site 3 out of 4 in the Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:19.4 occ:1.00 FE3 A:SF4301 0.0 19.4 1.0 S2 A:SF4301 2.3 19.8 1.0 SG A:CYS97 2.3 21.6 1.0 S1 A:SF4301 2.3 20.4 1.0 S4 A:SF4301 2.3 19.5 1.0 FE1 A:SF4301 2.7 19.6 1.0 FE4 A:SF4301 2.7 18.7 1.0 FE2 A:SF4301 2.8 19.7 1.0 CB A:CYS97 3.2 19.9 1.0 CA A:CYS97 3.6 20.9 1.0 N A:ALA98 3.9 22.7 1.0 S3 A:SF4301 4.0 21.2 1.0 CA A:GLY134 4.2 20.7 1.0 C A:CYS97 4.2 20.0 1.0 N A:GLY134 4.4 19.2 1.0 N A:GLY99 4.7 20.4 1.0 SG A:CYS132 4.7 20.0 1.0 O A:HOH545 4.8 26.1 1.0 SG B:CYS97 4.8 20.1 1.0 SG B:CYS132 4.9 20.7 1.0 N A:CYS97 4.9 20.9 1.0 O A:GLY96 5.0 23.3 1.0

Iron binding site 4 out of 4 in the Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structural and Mechanistic Insights Into CO2 Activation By Nitrogenase Iron Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:18.7 occ:1.00 FE4 A:SF4301 0.0 18.7 1.0 SG B:CYS132 2.3 20.7 1.0 S1 A:SF4301 2.3 20.4 1.0 S2 A:SF4301 2.3 19.8 1.0 S3 A:SF4301 2.3 21.2 1.0 FE1 A:SF4301 2.7 19.6 1.0 FE2 A:SF4301 2.7 19.7 1.0 FE3 A:SF4301 2.7 19.4 1.0 CB B:CYS132 3.2 19.8 1.0 S4 A:SF4301 3.9 19.5 1.0 N B:GLY134 4.0 22.4 1.0 CA B:GLY134 4.2 23.3 1.0 CA B:CYS132 4.5 21.0 1.0 SG A:CYS132 4.7 20.0 1.0 O A:GLY96 4.7 23.3 1.0 N B:GLY133 4.8 22.0 1.0 C B:CYS132 4.8 23.4 1.0 SG B:CYS97 4.8 20.1 1.0 CA A:CYS97 4.8 20.9 1.0 SG A:CYS97 4.9 21.6 1.0 N B:PHE135 4.9 21.1 1.0

L.A.Rettberg, M.T.Stiebritz, W.Kang, C.C.Lee, M.W.Ribbe, Y.Hu. Structural and Mechanistic Insights Into CO2ACTIVATION By Nitrogenase Iron Protein. Chemistry V. 25 13078 2019.
ISSN: ISSN 0947-6539
PubMed: 31402524
DOI: 10.1002/CHEM.201903387