Iron in PDB 8q50: Nitrogenase Fe Protein From Methanothermococcus Thermolithotrophicus, Tetragonal Crystalline Form at 1.91-A Resolution

The structure of Nitrogenase Fe Protein From Methanothermococcus Thermolithotrophicus, Tetragonal Crystalline Form at 1.91-A Resolution, PDB code: 8q50 was solved by N.Maslac, T.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.01 / 1.91
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.895, 98.895, 61.149, 90, 90, 90
R / Rfree (%)	20.2 / 23.1

The structure of Nitrogenase Fe Protein From Methanothermococcus Thermolithotrophicus, Tetragonal Crystalline Form at 1.91-A Resolution also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Nitrogenase Fe Protein From Methanothermococcus Thermolithotrophicus, Tetragonal Crystalline Form at 1.91-A Resolution (pdb code 8q50). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Nitrogenase Fe Protein From Methanothermococcus Thermolithotrophicus, Tetragonal Crystalline Form at 1.91-A Resolution, PDB code: 8q50:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Nitrogenase Fe Protein From Methanothermococcus Thermolithotrophicus, Tetragonal Crystalline Form at 1.91-A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Nitrogenase Fe Protein From Methanothermococcus Thermolithotrophicus, Tetragonal Crystalline Form at 1.91-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:38.3 occ:1.00 FE1 A:FES302 0.0 38.3 1.0 S2 A:FES302 2.2 26.5 1.0 S1 A:FES302 2.3 29.1 1.0 SG A:CYS140 2.4 29.3 1.0 FE2 A:FES302 2.6 35.7 1.0 CB A:CYS140 3.2 32.2 1.0 N A:GLY142 4.1 32.6 1.0 CA A:GLY142 4.2 32.4 1.0 CA A:CYS140 4.6 35.0 1.0 N A:PHE143 4.6 28.9 1.0 CD2 A:PHE143 4.7 30.1 1.0 SG A:CYS105 4.7 33.0 1.0 C A:CYS140 4.8 35.6 1.0 C A:GLY142 5.0 30.9 1.0

Iron binding site 2 out of 2 in the Nitrogenase Fe Protein From Methanothermococcus Thermolithotrophicus, Tetragonal Crystalline Form at 1.91-A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Nitrogenase Fe Protein From Methanothermococcus Thermolithotrophicus, Tetragonal Crystalline Form at 1.91-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:35.7 occ:1.00 FE2 A:FES302 0.0 35.7 1.0 S1 A:FES302 2.2 29.1 1.0 S2 A:FES302 2.4 26.5 1.0 SG A:CYS105 2.4 33.0 1.0 FE1 A:FES302 2.6 38.3 1.0 CB A:CYS105 3.3 38.1 1.0 CA A:CYS105 3.7 37.0 1.0 N A:ALA106 3.9 32.0 1.0 CA A:GLY142 4.0 32.4 1.0 C A:CYS105 4.1 32.5 1.0 N A:GLY142 4.3 32.6 1.0 N A:GLY107 4.4 32.0 1.0 SG A:CYS140 4.6 29.3 1.0

N.Maslac, C.Cadoux, P.Bolte, F.Murken, W.Gu, R.D.Milton, T.Wagner. Structural Comparison of (Hyper-)Thermophilic Nitrogenase Reductases From Three Marine Methanococcales. Febs J. 2024.
ISSN: ISSN 1742-464X
PubMed: 38696373
DOI: 10.1111/FEBS.17148