Magnesium in PDB 6h1j: Tarp Native

The structure of Tarp Native, PDB code: 6h1j was solved by Y.Guo, T.Stehle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.49 / 1.86
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.370, 95.250, 125.470, 90.00, 96.57, 90.00
R / Rfree (%)	17 / 21.6

The structure of Tarp Native also contains other interesting chemical elements:

Chlorine

(Cl)

10 atoms

The binding sites of Magnesium atom in the Tarp Native (pdb code 6h1j). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Tarp Native, PDB code: 6h1j:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tarp Native


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tarp Native within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:44.2 occ:1.00 O B:HOH622 2.1 34.3 1.0 O B:GLN27 2.3 26.2 1.0 O B:HOH587 2.4 35.2 1.0 O B:MET29 2.4 25.7 1.0 O B:HOH676 2.5 46.2 1.0 O B:HOH637 2.6 38.4 1.0 C B:MET29 3.4 25.9 1.0 C B:GLN27 3.5 27.8 1.0 N B:SER31 3.9 27.1 1.0 C B:THR28 4.0 28.8 1.0 O B:THR28 4.0 29.1 1.0 CA B:LYS30 4.0 29.5 1.0 N B:LYS30 4.1 28.5 1.0 C B:LYS30 4.2 28.6 1.0 N B:MET29 4.2 26.1 1.0 N B:GLN27 4.3 26.5 1.0 N B:THR28 4.3 27.3 1.0 CA B:GLN27 4.4 26.5 1.0 CA B:THR28 4.4 27.2 1.0 CA B:MET29 4.5 26.0 1.0 CA B:SER31 4.5 27.9 1.0 O B:HOH735 4.6 56.4 1.0 CB B:GLN27 4.7 25.6 1.0 CB B:SER31 4.7 30.4 1.0 OH B:TYR34 4.9 23.3 1.0 CE1 B:TYR34 4.9 23.8 1.0 O B:LEU25 4.9 26.3 1.0

Magnesium binding site 2 out of 2 in the Tarp Native


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Tarp Native within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:55.5 occ:1.00 O C:HOH531 2.1 45.4 1.0 OD1 C:ASP316 3.3 32.1 1.0 OD2 C:ASP316 3.6 40.2 1.0 CG C:ASP316 3.8 35.1 1.0 OD2 A:ASP316 3.8 35.3 1.0 CB C:LEU318 3.8 26.2 1.0 N C:ALA319 4.0 25.8 1.0 CB C:ALA319 4.2 25.6 1.0 CA C:ALA319 4.4 25.1 1.0 CB A:ALA319 4.5 24.5 1.0 C C:LEU318 4.5 25.3 1.0 CG A:ASP316 4.5 29.5 1.0 OD1 A:ASP316 4.7 29.6 1.0 CD1 C:LEU318 4.7 27.2 1.0 CA C:LEU318 4.7 27.1 1.0 CD1 C:ILE322 4.7 25.6 1.0 OD2 B:ASP316 4.9 39.7 1.0 CG C:LEU318 4.9 26.8 1.0

D.Gerlach, Y.Guo, C.De Castro, S.H.Kim, K.Schlatterer, F.F.Xu, C.Pereira, P.H.Seeberger, S.Ali, J.Codee, W.Sirisarn, B.Schulte, C.Wolz, J.Larsen, A.Molinaro, B.L.Lee, G.Xia, T.Stehle, A.Peschel. Methicillin-Resistant Staphylococcus Aureus Alters Cell Wall Glycosylation to Evade Immunity. Nature V. 563 705 2018.
ISSN: ESSN 1476-4687
PubMed: 30464342
DOI: 10.1038/S41586-018-0730-X