Magnesium in PDB 2oiw: The Structure of A Predicted Thioesterase From Bacillus Stearothermophilus

The structure of The Structure of A Predicted Thioesterase From Bacillus Stearothermophilus, PDB code: 2oiw was solved by M.E.Cuff, H.Li, S.Moy, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.52 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.521, 93.051, 75.844, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 23.3

The binding sites of Magnesium atom in the The Structure of A Predicted Thioesterase From Bacillus Stearothermophilus (pdb code 2oiw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Structure of A Predicted Thioesterase From Bacillus Stearothermophilus, PDB code: 2oiw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Structure of A Predicted Thioesterase From Bacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of A Predicted Thioesterase From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:27.9 occ:1.00 O A:HOH576 2.2 36.3 1.0 O C:THR13 2.3 18.4 1.0 O A:SER11 2.4 18.4 1.0 O C:HOH224 2.4 31.9 1.0 O A:THR13 2.4 19.9 1.0 O C:SER11 2.7 19.4 1.0 C A:SER11 3.4 18.8 1.0 C C:THR13 3.5 18.5 1.0 C A:THR13 3.6 19.5 1.0 C C:SER11 3.7 19.4 1.0 N C:THR13 4.0 18.2 1.0 N A:THR13 4.1 19.5 1.0 CA A:SER11 4.2 18.3 1.0 C C:GLU12 4.2 18.6 1.0 N A:GLU12 4.2 18.4 1.0 C A:GLU12 4.3 19.2 1.0 O A:HOH548 4.3 30.3 1.0 N C:ASP14 4.4 17.5 1.0 CA C:ASP14 4.4 17.9 1.0 N C:GLU12 4.4 18.6 1.0 CA C:GLU12 4.4 18.7 1.0 CA A:GLU12 4.4 18.1 1.0 CA C:THR13 4.5 18.2 1.0 O C:HOH188 4.5 30.6 1.0 CA A:ASP14 4.5 18.8 1.0 CA C:SER11 4.5 19.1 1.0 N A:ASP14 4.5 19.2 1.0 CA A:THR13 4.5 19.6 1.0 O C:HOH229 4.6 35.0 1.0 O C:GLU12 4.6 18.5 1.0 O A:VAL10 4.7 18.1 1.0 CB C:ASP14 4.8 16.8 1.0 O A:GLU12 4.9 19.2 1.0 O C:VAL10 4.9 20.6 1.0 CB C:ASN20 4.9 20.7 1.0 CB A:SER11 5.0 18.8 1.0 CB A:ASP14 5.0 18.1 1.0

Magnesium binding site 2 out of 2 in the The Structure of A Predicted Thioesterase From Bacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of A Predicted Thioesterase From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:38.3 occ:1.00 O D:HOH676 2.2 34.3 1.0 O D:THR13 2.2 16.4 1.0 O B:HOH711 2.3 45.9 1.0 O B:SER11 2.5 18.7 1.0 O D:SER11 2.6 16.7 1.0 O B:THR13 2.6 19.9 1.0 C B:SER11 3.4 18.9 1.0 C D:THR13 3.5 16.3 1.0 C D:SER11 3.6 17.3 1.0 C B:THR13 3.8 19.4 1.0 N D:THR13 4.0 15.1 1.0 C D:GLU12 4.0 16.6 1.0 CA B:SER11 4.1 19.2 1.0 N B:THR13 4.2 20.1 1.0 CA D:GLU12 4.3 15.7 1.0 N B:GLU12 4.3 18.3 1.0 O D:HOH646 4.3 34.6 1.0 N D:ASP14 4.3 16.4 1.0 C B:GLU12 4.4 20.3 1.0 N D:GLU12 4.4 16.8 1.0 CA D:ASP14 4.4 17.2 1.0 CA D:THR13 4.4 15.8 1.0 O B:HOH661 4.5 31.6 1.0 O D:GLU12 4.5 16.7 1.0 CA D:SER11 4.5 17.6 1.0 CA B:GLU12 4.5 19.5 1.0 CA B:ASP14 4.6 18.6 1.0 CB D:ASP14 4.6 18.7 1.0 N B:ASP14 4.7 18.6 1.0 O D:HOH704 4.7 28.6 1.0 CA B:THR13 4.7 20.1 1.0 O B:VAL10 4.8 19.9 1.0 CB D:ASN20 4.8 18.4 1.0 O B:HOH663 4.9 30.8 1.0 CB B:SER11 4.9 19.3 1.0 O B:GLU12 4.9 21.6 1.0 O D:VAL10 5.0 18.0 1.0

M.E.Cuff, H.Li, S.Moy, A.Joachimiak. The Structure of A Predicted Thioesterase From Bacillus Stearothermophilus To Be Published.