Magnesium in PDB 3rnl: Crystal Structure of Sulfotransferase From Alicyclobacillus Acidocaldarius

The structure of Crystal Structure of Sulfotransferase From Alicyclobacillus Acidocaldarius, PDB code: 3rnl was solved by Y.Kim, G.Chhor, J.Bearden, 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)	39.88 / 1.75
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	72.762, 93.850, 110.738, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 18.1

The binding sites of Magnesium atom in the Crystal Structure of Sulfotransferase From Alicyclobacillus Acidocaldarius (pdb code 3rnl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Sulfotransferase From Alicyclobacillus Acidocaldarius, PDB code: 3rnl:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Sulfotransferase From Alicyclobacillus Acidocaldarius


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 Sulfotransferase From Alicyclobacillus Acidocaldarius within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg311 b:20.8 occ:1.00 O A:HIS28 2.3 16.7 1.0 O A:ILE31 2.3 15.8 1.0 O A:SER26 2.4 19.6 0.6 O A:HOH438 2.5 29.6 1.0 O A:HOH376 2.5 26.5 1.0 O A:SER26 2.6 21.5 0.4 O A:HOH436 2.6 36.7 1.0 C A:HIS28 3.3 19.0 1.0 C A:SER26 3.5 20.6 0.6 C A:SER26 3.5 20.3 0.4 C A:ILE31 3.5 18.7 1.0 O A:HOH437 3.9 19.9 1.0 N A:HIS28 3.9 16.6 1.0 C A:GLN27 4.0 18.7 1.0 O A:HOH519 4.0 40.9 1.0 N A:ILE31 4.1 15.6 1.0 CA A:PRO29 4.1 21.0 1.0 N A:PRO29 4.2 19.0 1.0 CA A:HIS28 4.2 18.5 1.0 O A:GLN27 4.3 18.4 1.0 C A:PRO29 4.3 20.2 1.0 CA A:SER26 4.3 17.9 0.4 CA A:ILE31 4.3 13.2 1.0 CA A:SER26 4.3 18.0 0.6 N A:GLN27 4.4 18.1 1.0 O A:PRO29 4.5 21.4 1.0 CA A:GLN27 4.5 17.4 1.0 N A:TYR32 4.5 13.8 1.0 OE2 A:GLU80 4.6 25.9 0.5 OE2 A:GLU80 4.6 25.9 0.5 O A:LEU25 4.7 15.6 1.0 CB A:ILE31 4.7 14.5 1.0 CA A:TYR32 4.7 13.3 1.0 CG A:GLU80 4.7 18.6 0.5 N A:ASP30 4.8 15.6 1.0 CG A:GLU80 5.0 20.5 0.5

Magnesium binding site 2 out of 2 in the Crystal Structure of Sulfotransferase From Alicyclobacillus Acidocaldarius


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 Sulfotransferase From Alicyclobacillus Acidocaldarius within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg312 b:47.0 occ:1.00 O A:HOH536 2.0 23.6 1.0 O A:HOH538 2.2 16.6 0.5 O A:ASP173 2.3 10.3 1.0 O A:HOH543 2.4 40.1 1.0 O A:HOH537 2.6 17.1 1.0 C A:ASP173 3.4 11.9 1.0 O A:HOH545 3.5 35.6 1.0 CA A:ASP173 3.9 11.0 1.0 O A:HOH477 4.2 35.2 1.0 CB A:ASP173 4.5 10.1 1.0 N A:VAL174 4.5 8.5 1.0 O A:LEU172 4.7 11.8 1.0 CA A:VAL174 4.9 8.6 1.0 O A:VAL174 4.9 9.0 1.0 C A:VAL174 5.0 10.7 1.0

Y.Kim, G.Chhor, J.Bearden, A.Joachimiak. Crystal Structure of Sulfotransferase From Alicyclobacillus Acidocaldarius To Be Published.