Magnesium in PDB 5ta7: Crystal Structure of BUGH117BWT

The structure of Crystal Structure of BUGH117BWT, PDB code: 5ta7 was solved by B.Pluvinage, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.91 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.350, 100.300, 112.660, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 20.4

The binding sites of Magnesium atom in the Crystal Structure of BUGH117BWT (pdb code 5ta7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of BUGH117BWT, PDB code: 5ta7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of BUGH117BWT


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of BUGH117BWT within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:13.1 occ:1.00 O A:HOH668 2.0 11.0 1.0 O A:HOH871 2.1 10.5 1.0 O A:HOH640 2.1 10.7 1.0 O A:HOH601 2.1 9.5 1.0 O A:HOH739 2.2 5.4 1.0 O A:HOH720 2.2 2.5 1.0 O A:PRO91 3.6 11.2 1.0 O A:HOH701 3.8 15.2 1.0 O A:ALA348 4.1 13.7 1.0 O A:HOH676 4.1 7.0 1.0 O A:ILE349 4.2 13.2 1.0 OD1 A:ASP245 4.3 12.1 1.0 OD1 A:ASP90 4.3 11.5 1.0 OE2 A:GLU167 4.3 13.2 1.0 O A:PRO166 4.3 14.9 1.0 O A:ASP90 4.4 11.4 1.0 C A:ALA348 4.5 13.7 1.0 C A:ASP90 4.5 11.4 1.0 CG2 A:THR165 4.5 13.2 1.0 C A:PRO91 4.6 11.3 1.0 O A:ILE304 4.6 11.9 1.0 CA A:ALA348 4.6 13.8 1.0 CB A:ASP90 4.7 11.6 1.0 CA A:ASP90 4.7 11.4 1.0 CG A:GLU167 4.7 14.0 1.0 CB A:ALA348 4.8 13.9 1.0 CD A:GLU167 4.9 13.6 1.0 C A:ILE349 5.0 13.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of BUGH117BWT


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of BUGH117BWT within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:13.0 occ:1.00 O B:HOH657 2.0 12.8 1.0 O B:HOH606 2.1 12.2 1.0 O B:HOH669 2.1 11.6 1.0 O B:HOH871 2.1 14.9 1.0 O B:HOH604 2.2 6.5 1.0 O B:HOH720 2.3 9.3 1.0 O B:PRO91 3.6 12.4 1.0 O B:HOH662 3.9 10.2 1.0 O B:HOH734 4.2 6.2 1.0 O B:ILE349 4.2 13.1 1.0 OD1 B:ASP90 4.2 12.1 1.0 O B:ALA348 4.3 14.6 1.0 O B:PRO166 4.3 13.9 1.0 O B:ASP90 4.4 12.3 1.0 OD1 B:ASP245 4.4 13.1 1.0 OE2 B:GLU167 4.4 13.4 1.0 C B:ALA348 4.5 14.4 1.0 C B:ASP90 4.5 12.2 1.0 CB B:ASP90 4.6 12.3 1.0 CG2 B:THR165 4.6 13.0 1.0 C B:PRO91 4.6 12.3 1.0 O B:ILE304 4.6 12.4 1.0 CA B:ALA348 4.6 14.7 1.0 CA B:ASP90 4.6 12.3 1.0 CG B:GLU167 4.8 13.6 1.0 CB B:ALA348 4.8 14.6 1.0 CG B:ASP90 4.9 12.4 1.0 CD B:GLU167 5.0 13.5 1.0 C B:ILE349 5.0 13.4 1.0

B.Pluvinage, J.M.Grondin, C.Amundsen, L.Klassen, P.E.Moote, Y.Xiao, D.Thomas, N.A.Pudlo, A.Anele, E.C.Martens, G.D.Inglis, R.E.R.Uwiera, A.B.Boraston, D.W.Abbott. Molecular Basis of An Agarose Metabolic Pathway Acquired By A Human Intestinal Symbiont. Nat Commun V. 9 1043 2018.
ISSN: ESSN 2041-1723
PubMed: 29535379
DOI: 10.1038/S41467-018-03366-X