Magnesium in PDB 2hf7: Transition State Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex)

All present enzymatic activity of Transition State Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex):
3.1.3.2;

The structure of Transition State Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex), PDB code: 2hf7 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)	51.16 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.430, 66.484, 91.624, 90.00, 121.12, 90.00
R / Rfree (%)	17.1 / 19.6

The structure of Transition State Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex) also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Aluminium	(Al)	2 atoms

The binding sites of Magnesium atom in the Transition State Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex) (pdb code 2hf7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Transition State Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex), PDB code: 2hf7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Transition State Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Transition State Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg700 b:6.1 occ:1.00 F1 A:AF3800 2.0 6.2 1.0 O A:HOH810 2.0 4.0 1.0 OD2 A:ASP44 2.1 5.2 1.0 OD1 A:ASP167 2.1 5.1 1.0 O A:HOH806 2.1 4.1 1.0 O A:ASP46 2.1 4.4 1.0 CG A:ASP44 3.0 5.6 1.0 CG A:ASP167 3.1 4.8 1.0 C A:ASP46 3.3 4.2 1.0 OD1 A:ASP44 3.3 5.7 1.0 AL A:AF3800 3.4 10.5 1.0 OD2 A:ASP167 3.5 6.5 1.0 OG A:SER168 3.9 5.7 1.0 OG1 A:THR48 4.0 4.9 1.0 CA A:ASP46 4.0 4.5 1.0 OD2 A:ASP171 4.1 6.4 1.0 N A:ASP46 4.1 4.9 1.0 O A:HOH1070 4.2 23.3 1.0 CB A:ASP46 4.2 5.3 1.0 O A:HOH826 4.3 7.4 1.0 CB A:ASP44 4.3 4.6 1.0 O A:HOH858 4.3 16.5 1.0 N A:ASP47 4.4 3.3 1.0 CB A:ASP167 4.4 4.2 1.0 F3 A:AF3800 4.5 7.5 1.0 CB A:ASP47 4.6 3.0 1.0 F2 A:AF3800 4.6 8.9 1.0 N A:ASP167 4.6 4.2 1.0 N A:THR48 4.7 4.8 1.0 N A:SER168 4.7 4.8 1.0 CA A:ASP47 4.7 3.6 1.0 CB A:SER168 4.8 5.2 1.0 C A:ASP47 4.8 4.2 1.0 C A:ILE45 4.8 5.5 1.0 O A:HOH1101 4.8 8.8 1.0 CB A:THR48 4.9 5.2 1.0 CA A:ASP167 5.0 4.5 1.0

Magnesium binding site 2 out of 2 in the Transition State Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Transition State Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg701 b:7.0 occ:1.00 OD2 B:ASP44 2.0 4.2 1.0 F2 B:AF3801 2.0 10.4 1.0 OD1 B:ASP167 2.0 4.5 1.0 O B:ASP46 2.1 5.0 1.0 O B:HOH813 2.1 5.8 1.0 O B:HOH816 2.1 5.7 1.0 CG B:ASP44 3.0 5.8 1.0 CG B:ASP167 3.1 5.6 1.0 C B:ASP46 3.2 4.8 1.0 OD1 B:ASP44 3.3 5.0 1.0 OD2 B:ASP167 3.4 5.6 1.0 AL B:AF3801 3.6 19.1 1.0 OG1 B:THR48 3.9 4.7 1.0 CA B:ASP46 3.9 5.2 1.0 N B:ASP46 4.0 5.2 1.0 OG B:SER168 4.1 6.4 1.0 OD2 B:ASP171 4.1 7.2 1.0 O B:HOH916 4.1 18.1 1.0 CB B:ASP46 4.2 5.2 1.0 O B:HOH834 4.2 6.8 1.0 CB B:ASP44 4.3 5.3 1.0 N B:ASP47 4.3 4.7 1.0 O B:HOH933 4.3 19.6 1.0 CB B:ASP167 4.4 4.8 1.0 N B:ASP167 4.5 4.6 1.0 CB B:ASP47 4.6 4.3 1.0 N B:THR48 4.7 3.8 1.0 F3 B:AF3801 4.7 12.1 1.0 CA B:ASP47 4.7 4.2 1.0 N B:SER168 4.8 5.3 1.0 C B:ASP47 4.8 5.0 1.0 C B:ILE45 4.8 5.2 1.0 F1 B:AF3801 4.8 16.6 1.0 CB B:THR48 4.9 3.8 1.0 CA B:ASP167 4.9 5.3 1.0 CB B:SER168 5.0 6.3 1.0 O B:HOH1112 5.0 27.2 1.0

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