Magnesium in PDB 8ful: Heterologous AIBH1H2 Purified From Lysogeny Broth

The structure of Heterologous AIBH1H2 Purified From Lysogeny Broth, PDB code: 8ful was solved by M.M.Powell, J.Rittle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.28 / 2.29
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.772, 231.403, 144.997, 90, 92.17, 90
R / Rfree (%)	19 / 25.8

The structure of Heterologous AIBH1H2 Purified From Lysogeny Broth also contains other interesting chemical elements:

Iron

(Fe)

12 atoms

The binding sites of Magnesium atom in the Heterologous AIBH1H2 Purified From Lysogeny Broth (pdb code 8ful). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Heterologous AIBH1H2 Purified From Lysogeny Broth, PDB code: 8ful:

Magnesium binding site 1 out of 1 in the Heterologous AIBH1H2 Purified From Lysogeny Broth


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Heterologous AIBH1H2 Purified From Lysogeny Broth within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg404 b:57.9 occ:1.00 O D:PRO290 2.0 47.5 1.0 O B:HOH557 2.2 44.4 1.0 O D:HOH564 2.3 54.9 1.0 O D:HOH554 2.3 48.5 1.0 O B:PRO290 2.3 47.9 1.0 C D:PRO290 3.1 46.0 1.0 C B:PRO290 3.5 44.1 1.0 CA D:PRO290 4.0 48.4 1.0 N D:ASP291 4.0 41.1 1.0 CA D:ASP291 4.1 40.5 1.0 N B:ASP291 4.3 43.5 1.0 CA B:ASP291 4.3 45.4 1.0 CB D:PRO290 4.3 47.4 1.0 C D:ASP291 4.3 45.8 1.0 CA B:PRO290 4.4 40.7 1.0 CB B:PRO290 4.6 34.5 1.0 O D:LEU292 4.6 47.2 1.0 O D:ASP291 4.7 44.2 1.0 C B:ASP291 4.7 48.4 1.0 N D:LEU292 4.8 39.3 1.0 O B:LEU292 4.8 46.1 1.0 OD1 B:ASP291 4.9 54.1 1.0 O B:ASP291 5.0 40.2 1.0

M.M.Powell, G.Rao, R.D.Britt, J.Rittle. Enzymatic Hydroxylation of Aliphatic C-H Bonds By A Mn/Fe Cofactor. Biorxiv 2023.
ISSN: ISSN 2692-8205
PubMed: 36945426
DOI: 10.1101/2023.03.10.532131