Magnesium in PDB 2heg: Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase

All present enzymatic activity of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase:
3.1.3.2;

The structure of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase, PDB code: 2heg was solved by R.Leone, V.Calderone, E.Cappelletti, M.Benvenuti, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.23 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.428, 66.631, 90.103, 90.00, 119.85, 90.00
R / Rfree (%)	16.4 / 18.9

The structure of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Magnesium atom in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (pdb code 2heg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase, PDB code: 2heg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg300 b:5.4 occ:1.00 F1 A:BFD44 1.9 5.9 1.0 OD2 A:BFD44 2.0 4.6 1.0 O A:ASP46 2.1 4.9 1.0 O A:HOH322 2.1 7.2 1.0 OD1 A:ASP167 2.1 5.4 1.0 O A:HOH302 2.1 6.7 1.0 CG A:BFD44 3.0 5.3 1.0 CG A:ASP167 3.0 6.3 1.0 BE A:BFD44 3.1 8.2 1.0 C A:ASP46 3.2 5.0 1.0 OD1 A:BFD44 3.3 4.9 1.0 OD2 A:ASP167 3.4 6.5 1.0 CA A:ASP46 3.9 5.1 1.0 N A:ASP46 3.9 5.3 1.0 OG A:SER168 4.0 7.0 1.0 OG1 A:THR48 4.0 5.4 1.0 OD2 A:ASP171 4.1 7.2 1.0 CB A:ASP46 4.1 5.8 1.0 O A:HOH577 4.2 21.1 1.0 O A:HOH312 4.2 7.4 1.0 F2 A:BFD44 4.2 6.1 1.0 F3 A:BFD44 4.2 6.2 1.0 CB A:BFD44 4.3 5.3 1.0 N A:ASP47 4.3 4.8 1.0 CB A:ASP167 4.4 5.4 1.0 O A:HOH344 4.5 11.4 1.0 N A:ASP167 4.6 4.9 1.0 CB A:ASP47 4.6 5.0 1.0 N A:THR48 4.7 4.7 1.0 C A:ILE45 4.7 5.3 1.0 N A:SER168 4.7 5.9 1.0 CA A:ASP47 4.7 5.1 1.0 C A:ASP47 4.8 5.2 1.0 CB A:SER168 4.9 6.5 1.0 CA A:ASP167 5.0 5.5 1.0 CB A:THR48 5.0 5.4 1.0

Magnesium binding site 2 out of 2 in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg300 b:6.6 occ:1.00 F2 B:BFD44 1.8 7.4 1.0 OD2 B:BFD44 2.1 6.4 1.0 O B:HOH340 2.1 8.6 1.0 O B:ASP46 2.1 6.4 1.0 OD1 B:ASP167 2.1 6.4 1.0 O B:HOH306 2.1 7.3 1.0 CG B:BFD44 3.0 7.2 1.0 CG B:ASP167 3.1 6.8 1.0 BE B:BFD44 3.1 9.2 1.0 C B:ASP46 3.2 6.5 1.0 OD1 B:BFD44 3.3 4.6 1.0 OD2 B:ASP167 3.4 6.5 1.0 CA B:ASP46 3.9 6.5 1.0 N B:ASP46 3.9 6.3 1.0 OG B:SER168 4.0 8.1 1.0 OG1 B:THR48 4.0 6.5 1.0 OD2 B:ASP171 4.1 7.6 1.0 CB B:ASP46 4.1 7.0 1.0 O B:HOH498 4.1 26.0 1.0 F1 B:BFD44 4.2 9.0 1.0 F3 B:BFD44 4.3 7.3 1.0 O B:HOH369 4.3 9.6 1.0 CB B:BFD44 4.3 6.7 1.0 N B:ASP47 4.4 5.9 1.0 CB B:ASP167 4.4 6.2 1.0 O B:HOH345 4.5 11.9 1.0 N B:ASP167 4.6 5.9 1.0 CB B:ASP47 4.7 5.9 1.0 N B:THR48 4.7 5.6 1.0 C B:ILE45 4.7 6.5 1.0 N B:SER168 4.8 6.6 1.0 CA B:ASP47 4.8 5.7 1.0 C B:ASP47 4.9 6.3 1.0 CB B:SER168 4.9 7.1 1.0 CA B:ASP167 5.0 6.5 1.0 CB B:THR48 5.0 5.9 1.0

R.Leone, V.Calderone, E.Cappelletti, M.Benvenuti, S.Mangani. N/A N/A.