Magnesium in PDB 3pu9: Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745

The structure of Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745, PDB code: 3pu9 was solved by B.Nocek, C.Tesar, S.Clancy, 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)	40.00 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.168, 54.713, 63.262, 90.00, 99.51, 90.00
R / Rfree (%)	17.8 / 21.7

The binding sites of Magnesium atom in the Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745 (pdb code 3pu9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745, PDB code: 3pu9:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:12.0 occ:0.80 O A:HOH412 1.9 49.0 1.0 O A:HOH363 1.9 30.5 1.0 OD2 A:ASP43 2.0 27.8 1.0 OD1 A:ASP161 2.0 28.6 1.0 O A:HOH305 2.1 26.2 1.0 OD2 A:ASP211 2.5 32.4 1.0 CG A:ASP43 3.0 20.6 1.0 CG A:ASP161 3.0 23.3 1.0 OD1 A:ASP43 3.3 24.5 1.0 OD2 A:ASP161 3.4 28.4 1.0 CG A:ASP211 3.4 26.9 1.0 OD1 A:ASP211 3.6 31.8 1.0 MG A:MG302 3.7 13.5 0.9 O A:HOH255 3.8 45.4 1.0 O A:HOH257 4.1 21.4 1.0 O A:HOH411 4.1 22.7 1.0 N A:GLY162 4.3 19.6 1.0 OD1 A:ASP25 4.3 21.3 1.0 CB A:ASP161 4.4 21.9 1.0 N A:ASP161 4.4 19.3 1.0 O A:HOH308 4.4 38.7 1.0 CB A:ASP43 4.5 18.7 1.0 O A:ASP212 4.5 20.2 1.0 CA A:ASP161 4.7 19.9 1.0 C A:ASP161 4.7 19.6 1.0 CB A:ASP211 4.8 21.2 1.0 CB A:SER160 4.9 18.6 1.0 O A:HOH413 4.9 43.4 1.0 O A:HOH414 5.0 32.8 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:13.5 occ:0.90 OD1 A:ASP43 2.0 24.5 1.0 O A:GLY44 2.2 23.1 1.0 O A:GLY46 2.2 25.9 1.0 O A:HOH363 2.4 30.5 1.0 O A:HOH411 2.5 22.7 1.0 O A:HOH255 2.6 45.4 1.0 CG A:ASP43 3.2 20.6 1.0 C A:GLY44 3.4 21.9 1.0 C A:GLY46 3.4 25.4 1.0 O A:HOH412 3.6 49.0 1.0 MG A:MG301 3.7 12.0 0.8 OD2 A:ASP43 3.7 27.8 1.0 N A:GLY46 3.7 25.5 1.0 O A:HOH414 4.0 32.8 1.0 C A:GLN45 4.0 24.5 1.0 N A:GLY44 4.1 19.9 1.0 CA A:GLY46 4.1 25.9 1.0 N A:GLN45 4.3 23.7 1.0 CA A:GLN45 4.3 24.8 1.0 CA A:GLY44 4.3 21.6 1.0 C A:ASP43 4.3 18.8 1.0 CB A:ALA51 4.4 23.3 1.0 OD1 A:ASP25 4.5 21.3 1.0 N A:SER47 4.5 26.2 1.0 CB A:ASP43 4.5 18.7 1.0 O A:HOH305 4.6 26.2 1.0 OD2 A:ASP212 4.6 22.0 1.0 O A:GLN45 4.6 24.5 1.0 OD1 A:ASP211 4.6 31.8 1.0 O A:ASP43 4.7 19.8 1.0 CA A:ASP43 4.7 18.7 1.0 CA A:SER47 4.8 27.3 1.0 O A:GLY24 4.9 22.2 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:6.5 occ:0.80 O B:HOH350 2.0 50.2 1.0 O B:HOH424 2.0 37.4 1.0 OD1 B:ASP161 2.1 31.0 1.0 OD2 B:ASP211 2.2 34.4 1.0 O B:HOH279 2.3 28.3 1.0 OD2 B:ASP43 2.4 32.1 1.0 OD1 B:ASP43 2.8 27.8 1.0 CG B:ASP43 2.9 24.8 1.0 CG B:ASP161 3.2 26.7 1.0 CG B:ASP211 3.4 28.1 1.0 OD2 B:ASP161 3.5 33.1 1.0 MG B:MG302 3.7 27.3 0.8 OD1 B:ASP211 3.8 32.3 1.0 O B:HOH243 4.1 36.5 1.0 O B:HOH262 4.3 47.5 1.0 O B:HOH290 4.3 27.8 1.0 CB B:ASP43 4.3 22.1 1.0 OD1 B:ASP25 4.4 24.0 1.0 N B:GLY162 4.5 20.6 1.0 CB B:ASP161 4.5 24.5 1.0 N B:ASP161 4.6 21.4 1.0 O B:ASP212 4.7 19.9 1.0 CB B:ASP211 4.8 22.2 1.0 CA B:ASP161 4.8 23.0 1.0 C B:ASP161 4.9 22.2 1.0 O B:GLY44 4.9 33.0 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:27.3 occ:0.80 O B:HOH243 1.8 36.5 1.0 O B:GLY44 2.1 33.0 1.0 OD1 B:ASP43 2.2 27.8 1.0 O B:HOH424 2.5 37.4 1.0 O B:GLY46 3.2 56.7 1.0 C B:GLY44 3.3 33.7 1.0 CG B:ASP43 3.3 24.8 1.0 N B:GLY44 3.5 26.7 1.0 MG B:MG301 3.7 6.5 0.8 O B:GLY24 3.8 28.5 1.0 C B:ASP43 3.8 23.6 1.0 OD1 B:ASP25 3.8 24.0 1.0 CA B:GLY44 3.9 29.8 1.0 C B:GLY24 3.9 30.2 1.0 OD2 B:ASP212 4.1 27.2 1.0 OD2 B:ASP43 4.1 32.1 1.0 CA B:ASP43 4.1 22.2 1.0 CA B:GLY24 4.2 30.8 1.0 O B:HOH350 4.2 50.2 1.0 O B:HOH279 4.3 28.3 1.0 CB B:ASP43 4.3 22.1 1.0 N B:GLN45 4.4 40.9 1.0 C B:GLY46 4.4 55.9 1.0 O B:ASP43 4.4 21.9 1.0 N B:GLY46 4.5 52.5 1.0 N B:ASP25 4.5 28.6 1.0 C B:GLN45 4.5 49.1 1.0 CA B:GLN45 4.7 46.5 1.0 OD1 B:ASP211 4.8 32.3 1.0 O B:GLN45 4.9 47.9 1.0 N B:GLY24 4.9 31.8 1.0 OD2 B:ASP211 5.0 34.4 1.0 CG B:ASP212 5.0 22.6 1.0

B.Nocek, C.Tesar, S.Clancy, A.Joachimiak. Crystal Structure of Serine/Threonine Phosphatase Sphaerobacter Thermophilus Dsm 20745 To Be Published.