Magnesium in PDB 3qe5: Complete Structure of Streptococcus Mutans Antigen I/II Carboxy- Terminus

The structure of Complete Structure of Streptococcus Mutans Antigen I/II Carboxy- Terminus, PDB code: 3qe5 was solved by M.R.Larson, K.R.Rajashankar, P.J.Crowley, C.Kelly, T.J.Mitchell, L.J.Brady, C.Deivanayagam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	108.495, 156.360, 213.648, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 24.4

The structure of Complete Structure of Streptococcus Mutans Antigen I/II Carboxy- Terminus also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Magnesium atom in the Complete Structure of Streptococcus Mutans Antigen I/II Carboxy- Terminus (pdb code 3qe5). 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 Complete Structure of Streptococcus Mutans Antigen I/II Carboxy- Terminus, PDB code: 3qe5:

Magnesium binding site 1 out of 1 in the Complete Structure of Streptococcus Mutans Antigen I/II Carboxy- Terminus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complete Structure of Streptococcus Mutans Antigen I/II Carboxy- Terminus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg7 b:39.6 occ:1.00 O A:HOH8 2.3 46.7 1.0 O B:THR1397 2.4 32.1 1.0 O A:HOH18 2.5 33.0 1.0 O A:ASP1150 2.5 39.0 1.0 O A:ARG1018 2.6 31.0 1.0 C A:ASP1150 3.5 38.2 1.0 C B:THR1397 3.6 29.9 1.0 C A:ARG1018 3.7 31.3 1.0 CA A:ASP1150 4.0 38.0 1.0 CA B:GLY1398 4.0 29.8 1.0 CB A:ASP1150 4.0 37.2 1.0 OD1 A:ASN1151 4.1 35.1 1.0 O B:HOH176 4.1 47.0 1.0 CA A:THR1019 4.1 32.2 1.0 C B:GLY1398 4.2 29.1 1.0 N B:GLY1398 4.3 30.0 1.0 O B:HOH265 4.4 53.1 1.0 N A:THR1019 4.4 30.8 1.0 CG2 A:THR1019 4.5 34.0 1.0 O B:GLY1398 4.5 29.1 1.0 O A:HOH175 4.5 32.0 1.0 N B:GLN1399 4.5 30.0 1.0 CB A:ARG1018 4.6 30.2 1.0 O B:HOH213 4.6 49.2 1.0 N A:ASN1151 4.6 36.3 1.0 CA B:THR1397 4.6 29.6 1.0 CB B:THR1397 4.7 29.8 1.0 CG A:ASN1151 4.7 33.9 1.0 CB A:THR1019 4.8 33.8 1.0 CA A:ARG1018 4.8 30.8 1.0 CG A:ASP1150 4.8 38.0 1.0 OG1 B:THR1397 5.0 28.1 1.0

M.R.Larson, K.R.Rajashankar, P.J.Crowley, C.Kelly, T.J.Mitchell, L.J.Brady, C.Deivanayagam. Crystal Structure of the C-Terminal Region of Streptococcus Mutans Antigen I/II and Characterization of Salivary Agglutinin Adherence Domains. J.Biol.Chem. V. 286 21657 2011.
ISSN: ISSN 0021-9258
PubMed: 21505225
DOI: 10.1074/JBC.M111.231100