Magnesium in PDB 6mps: Tagt Bound to Liia-Wta

The structure of Tagt Bound to Liia-Wta, PDB code: 6mps was solved by T.W.Owens, K.Schaefer, D.Kahne, S.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.36 / 1.86
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.373, 66.373, 145.060, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 23.5

The structure of Tagt Bound to Liia-Wta also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Tagt Bound to Liia-Wta (pdb code 6mps). 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 Tagt Bound to Liia-Wta, PDB code: 6mps:

Magnesium binding site 1 out of 1 in the Tagt Bound to Liia-Wta


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tagt Bound to Liia-Wta within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:50.8 occ:1.00 O A:HOH563 2.0 51.6 1.0 O A:HOH555 2.0 48.3 1.0 O61 A:JXD401 2.0 41.4 1.0 OD1 A:ASP97 2.2 60.2 1.0 O62 A:JXD401 2.2 44.8 1.0 OD2 A:ASP82 2.2 73.2 1.0 CG A:ASP97 3.1 54.6 1.0 P28 A:JXD401 3.2 42.0 1.0 CG A:ASP82 3.2 65.7 1.0 HB3 A:ASP82 3.4 93.5 1.0 P25 A:JXD401 3.4 45.8 1.0 O27 A:JXD401 3.4 44.0 1.0 OD2 A:ASP97 3.4 54.5 1.0 HB2 A:ASP82 3.4 93.5 1.0 H311 A:JXD401 3.5 58.1 1.0 CB A:ASP82 3.6 77.7 1.0 HH12 A:ARG118 3.6 58.4 1.0 HB2 A:ARG95 4.0 79.4 1.0 O24 A:JXD401 4.2 58.5 1.0 O30 A:JXD401 4.2 48.7 1.0 C31 A:JXD401 4.2 48.3 1.0 NH1 A:ARG118 4.3 48.5 1.0 OD1 A:ASP82 4.4 59.0 1.0 CB A:ASP97 4.4 47.9 1.0 HH11 A:ARG118 4.4 58.4 1.0 HB2 A:ASP97 4.5 57.6 1.0 O29 A:JXD401 4.5 49.6 1.0 O A:HOH657 4.5 57.1 1.0 HB3 A:ASP97 4.6 57.6 1.0 O26 A:JXD401 4.6 44.7 1.0 HD3 A:ARG95 4.9 0.1 1.0 CB A:ARG95 4.9 66.0 1.0 C32 A:JXD401 4.9 43.1 1.0 H321 A:JXD401 4.9 52.0 1.0 H312 A:JXD401 5.0 58.1 1.0

K.Schaefer, T.W.Owens, D.Kahne, S.Walker. Substrate Preferences Establish the Order of Cell Wall Assembly in Staphylococcus Aureus. J. Am. Chem. Soc. V. 140 2442 2018.
ISSN: ESSN 1520-5126
PubMed: 29402087
DOI: 10.1021/JACS.7B13551