Magnesium in PDB 1ew9: Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Mercaptomethyl Phosphonate

All present enzymatic activity of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Mercaptomethyl Phosphonate:
3.1.3.1;

The structure of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Mercaptomethyl Phosphonate, PDB code: 1ew9 was solved by K.M.Holtz, B.Stec, J.K.Meyers, S.M.Antonelli, T.S.Widlanski, E.R.Kantrowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 2.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	194.830, 167.100, 76.670, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 22.9

The structure of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Mercaptomethyl Phosphonate also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Magnesium atom in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Mercaptomethyl Phosphonate (pdb code 1ew9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Mercaptomethyl Phosphonate, PDB code: 1ew9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Mercaptomethyl Phosphonate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Mercaptomethyl Phosphonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg452 b:17.4 occ:0.65 ZN A:ZN453 0.0 17.4 0.3 OE2 A:GLU322 2.0 9.8 1.0 OD2 A:ASP51 2.0 16.6 1.0 O A:HOH882 2.2 12.8 0.7 O A:HOH885 2.2 12.8 0.3 OG1 A:THR155 2.2 12.6 1.0 O A:HOH883 2.3 8.7 0.7 O A:HOH886 2.3 8.7 0.3 O A:HOH881 2.3 14.9 0.7 O A:HOH884 2.3 14.9 0.3 CD A:GLU322 3.0 10.6 1.0 CG A:ASP51 3.0 11.8 1.0 CB A:THR155 3.2 11.4 1.0 OE1 A:GLU322 3.4 8.8 1.0 CB A:ASP51 3.6 12.4 1.0 OD2 A:ASP153 3.7 16.2 1.0 OD1 A:ASP51 4.0 8.1 1.0 O A:HOH583 4.1 14.2 1.0 CG2 A:THR155 4.1 8.4 1.0 N A:THR155 4.2 15.9 1.0 CG A:GLU322 4.3 9.2 1.0 CB A:ALA324 4.3 15.3 1.0 CA A:THR155 4.3 14.6 1.0 O A:HOH683 4.3 10.5 1.0 O A:HOH877 4.3 38.2 1.0 OG A:SER102 4.5 14.2 1.0 O A:ALA324 4.5 17.1 1.0 CA A:ALA324 4.6 17.1 1.0 ZN A:ZN451 4.6 13.5 1.0 CB A:SER102 4.7 18.4 1.0 CG A:ASP153 4.7 16.8 1.0 CA A:ASP51 4.9 16.8 1.0 OD1 A:ASP369 5.0 19.7 1.0

Magnesium binding site 2 out of 2 in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Mercaptomethyl Phosphonate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Mercaptomethyl Phosphonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg452 b:22.5 occ:0.65 ZN B:ZN453 0.0 22.5 0.3 O B:HOH1183 1.8 21.0 0.7 O B:HOH1186 1.8 21.0 0.3 OE1 B:GLU322 1.9 11.9 1.0 O B:HOH1184 2.1 10.8 0.7 O B:HOH1187 2.1 10.8 0.3 OD2 B:ASP51 2.1 12.9 1.0 O B:HOH1185 2.2 18.8 0.7 O B:HOH1188 2.2 18.8 0.3 OG1 B:THR155 2.2 21.1 1.0 CB B:THR155 3.0 11.1 1.0 CD B:GLU322 3.0 15.8 1.0 CG B:ASP51 3.1 14.2 1.0 OE2 B:GLU322 3.5 15.8 1.0 CB B:ASP51 3.6 15.0 1.0 OD2 B:ASP153 3.7 22.1 1.0 CG2 B:THR155 3.9 9.3 1.0 N B:THR155 4.1 16.9 1.0 CA B:THR155 4.1 16.3 1.0 O B:HOH997 4.1 24.2 1.0 O B:HOH1179 4.2 36.1 1.0 OD1 B:ASP51 4.2 8.2 1.0 O B:HOH995 4.2 13.1 1.0 CG B:GLU322 4.2 15.2 1.0 OG B:SER102 4.4 14.9 1.0 CB B:ALA324 4.5 22.2 1.0 CA B:ALA324 4.6 15.2 1.0 CB B:SER102 4.6 19.5 1.0 O B:ALA324 4.7 13.9 1.0 ZN B:ZN451 4.7 15.7 1.0 CG B:ASP153 4.7 23.2 1.0 OD1 B:ASP369 4.9 21.3 1.0 CA B:ASP51 5.0 11.7 1.0

K.M.Holtz, B.Stec, J.K.Myers, S.M.Antonelli, T.S.Widlanski, E.R.Kantrowitz. Alternate Modes of Binding in Two Crystal Structures of Alkaline Phosphatase-Inhibitor Complexes. Protein Sci. V. 9 907 2000.
ISSN: ISSN 0961-8368
PubMed: 10850800