Magnesium in PDB 7jrf: Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii

All present enzymatic activity of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii:
1.18.6.1;

The structure of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii, PDB code: 7jrf was solved by T.Spatzal, K.A.Perez, T.M.Buscagan, A.O.Maggiolo, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.63 / 1.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.052, 129.974, 107.223, 90, 109.11, 90
R / Rfree (%)	11.6 / 15

The structure of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii also contains other interesting chemical elements:

Iron	(Fe)	30 atoms
Molybdenum	(Mo)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Magnesium atom in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii (pdb code 7jrf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii, PDB code: 7jrf:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg604 b:51.7 occ:1.00 O B:HOH1046 2.4 26.8 1.0 O B:HOH1038 2.9 20.8 1.0 O B:HOH1251 3.4 23.6 1.0 CE B:LYS365 3.7 15.8 1.0 NZ B:LYS365 3.9 18.5 1.0 O B:HOH1124 4.0 27.5 1.0 CZ3 B:TRP361 4.1 13.0 1.0 CG2 B:ILE501 4.1 12.2 1.0 O D:HOH995 4.1 21.6 1.0 CE3 B:TRP361 4.2 13.6 1.0 O B:HOH1225 4.2 24.5 1.0 CD1 B:LEU505 4.3 11.6 1.0 CD2 B:LEU505 4.3 12.5 1.0 CB B:LEU505 4.4 10.6 1.0 CG B:LEU505 4.5 11.2 1.0 O B:ILE501 4.9 10.8 1.0

Magnesium binding site 2 out of 2 in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg606 b:47.5 occ:1.00 O D:HOH805 2.7 17.7 1.0 O D:HOH1211 3.4 31.1 1.0 CE D:LYS9 3.5 25.4 1.0 CG D:PRO13 3.9 14.3 1.0 CB D:PRO13 4.2 13.7 1.0 CD D:LYS9 4.2 18.6 1.0 O D:HOH1264 4.2 36.3 1.0 OD1 D:ASP17 4.5 14.9 1.0 O D:PRO13 4.8 11.7 1.0 NZ D:LYS9 4.8 23.8 1.0

T.M.Buscagan, K.A.Perez, A.O.Maggiolo, D.C.Rees, T.Spatzal. Structural Characterization of Two Co Molecules Bound to the Nitrogenase Active Site. Angew.Chem.Int.Ed.Engl. V. 60 5704 2021.
ISSN: ESSN 1521-3773
PubMed: 33320413
DOI: 10.1002/ANIE.202015751