Manganese in PDB 5tze: Crystal Structure of S. Aureus Tars in Complex with Udp-Glcnac

The structure of Crystal Structure of S. Aureus Tars in Complex with Udp-Glcnac, PDB code: 5tze was solved by L.J.Worrall, S.Sobhanifar, D.T.King, N.C.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.43 / 2.33
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	57.510, 57.580, 86.480, 83.81, 82.92, 61.88
R / Rfree (%)	18.9 / 23.3

The binding sites of Manganese atom in the Crystal Structure of S. Aureus Tars in Complex with Udp-Glcnac (pdb code 5tze). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of S. Aureus Tars in Complex with Udp-Glcnac, PDB code: 5tze:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of S. Aureus Tars in Complex with Udp-Glcnac


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of S. Aureus Tars in Complex with Udp-Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn401 b:36.3 occ:1.00 O C:HOH516 2.2 30.2 1.0 O1B C:UD1404 2.2 38.7 1.0 O2A C:UD1404 2.3 29.0 1.0 OD2 C:ASP93 2.3 44.9 1.0 OD1 C:ASP93 2.4 40.8 1.0 O C:HOH522 2.6 36.5 1.0 CG C:ASP93 2.7 41.8 1.0 PB C:UD1404 3.2 33.6 1.0 O1' C:UD1404 3.4 35.2 1.0 PA C:UD1404 3.6 34.1 1.0 OD2 C:ASP94 3.7 36.5 1.0 OD1 C:ASP94 3.8 37.6 1.0 O3A C:UD1404 3.9 39.8 1.0 ND1 C:HIS210 4.0 64.9 1.0 OD2 C:ASP91 4.1 38.8 1.0 CG C:ASP94 4.1 38.1 1.0 CB C:ASP91 4.1 33.9 1.0 CB C:ASP93 4.2 40.8 1.0 NH1 C:ARG126 4.4 91.0 1.0 CE1 C:HIS210 4.5 68.6 1.0 O1A C:UD1404 4.5 38.6 1.0 O2B C:UD1404 4.6 35.2 1.0 CG C:ASP91 4.6 38.7 1.0 C5B C:UD1404 4.6 34.2 1.0 C1' C:UD1404 4.7 33.0 1.0 O5B C:UD1404 4.7 38.4 1.0 N2' C:UD1404 4.8 37.0 1.0 NH1 C:ARG206 4.8 64.8 1.0 O C:THR204 4.9 49.0 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of S. Aureus Tars in Complex with Udp-Glcnac


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of S. Aureus Tars in Complex with Udp-Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn401 b:38.3 occ:1.00 O E:HOH550 2.1 28.0 1.0 O2A E:UD1404 2.1 31.4 1.0 O1B E:UD1404 2.2 30.8 1.0 O E:HOH511 2.3 29.5 1.0 OD2 E:ASP93 2.3 44.3 1.0 OD1 E:ASP93 2.5 40.5 1.0 CG E:ASP93 2.7 40.8 1.0 PB E:UD1404 3.2 29.3 1.0 PA E:UD1404 3.4 33.6 1.0 O1' E:UD1404 3.4 32.0 1.0 O3A E:UD1404 3.7 40.4 1.0 OD1 E:ASP91 3.9 40.8 1.0 ND1 E:HIS210 3.9 76.9 1.0 OD1 E:ASP94 4.0 33.5 1.0 CB E:ASP91 4.1 36.7 1.0 OD2 E:ASP94 4.1 37.2 1.0 CE1 E:HIS210 4.2 79.4 1.0 CB E:ASP93 4.2 36.2 1.0 O1A E:UD1404 4.3 34.0 1.0 CG E:ASP94 4.4 36.7 1.0 CG E:ASP91 4.4 40.6 1.0 O2B E:UD1404 4.5 26.9 1.0 C5B E:UD1404 4.5 33.9 1.0 O5B E:UD1404 4.5 37.2 1.0 C1' E:UD1404 4.7 32.9 1.0 NH1 E:ARG206 4.8 63.2 1.0 O E:THR204 4.8 56.4 1.0 N2' E:UD1404 4.9 37.4 1.0 NH2 E:ARG126 5.0 80.7 1.0

S.Sobhanifar, L.J.Worrall, D.T.King, G.A.Wasney, L.Baumann, R.T.Gale, M.Nosella, E.D.Brown, S.G.Withers, N.C.Strynadka. Structure and Mechanism of Staphylococcus Aureus Tars, the Wall Teichoic Acid Beta-Glycosyltransferase Involved in Methicillin Resistance. Plos Pathog. V. 12 06067 2016.
ISSN: ESSN 1553-7374
PubMed: 27973583
DOI: 10.1371/JOURNAL.PPAT.1006067