Magnesium in PDB 1ew8: Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid

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

The structure of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid, PDB code: 1ew8 was solved by K.M.Holtz, B.Stec, J.K.Myers, 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 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	194.770, 167.190, 76.590, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.7

The structure of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid 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 Phosphonoacetic Acid (pdb code 1ew8). 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 Phosphonoacetic Acid, PDB code: 1ew8:
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 Phosphonoacetic Acid


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 Phosphonoacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg452 b:27.1 occ:0.75 ZN A:ZN453 0.0 27.1 0.2 OE2 A:GLU322 1.9 11.6 1.0 O A:HOH5012 2.0 7.7 0.8 O A:HOH5015 2.0 7.7 0.2 OD2 A:ASP51 2.1 25.6 1.0 O A:HOH5011 2.2 13.7 0.8 O A:HOH5014 2.2 13.7 0.2 O A:HOH5013 2.3 16.8 0.8 O A:HOH5016 2.3 16.8 0.2 OG1 A:THR155 2.5 11.4 1.0 CG A:ASP51 3.0 16.2 1.0 CD A:GLU322 3.0 14.1 1.0 CB A:ASP51 3.4 13.4 1.0 CB A:THR155 3.4 15.4 1.0 OE1 A:GLU322 3.4 14.9 1.0 OD2 A:ASP153 3.7 20.6 1.0 OD1 A:ASP51 4.0 5.9 1.0 O A:HOH5041 4.0 14.2 1.0 CB A:ALA324 4.2 12.6 1.0 CG A:GLU322 4.3 12.6 1.0 O1P A:PAE556 4.3 37.0 0.5 N A:THR155 4.3 14.9 1.0 CG2 A:THR155 4.4 8.0 1.0 O1 A:PO4557 4.4 38.5 0.5 O3 A:PO4557 4.5 38.2 0.5 CA A:THR155 4.5 17.0 1.0 CA A:ALA324 4.5 19.2 1.0 O A:HOH5142 4.5 21.8 1.0 O3P A:PAE556 4.5 36.5 0.5 O A:ALA324 4.6 6.7 1.0 CG A:ASP153 4.6 25.5 1.0 CB A:SER102 4.7 21.8 1.0 ZN A:ZN451 4.8 20.7 1.0 CA A:ASP51 4.8 12.7 1.0 OG A:SER102 5.0 48.2 1.0

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


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 Phosphonoacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg452 b:34.3 occ:0.72 ZN B:ZN453 0.0 34.3 0.3 OE1 B:GLU322 1.9 19.2 1.0 O B:HOH5024 1.9 18.4 0.7 O B:HOH5027 1.9 18.4 0.3 O B:HOH5025 2.0 10.4 0.7 O B:HOH5028 2.0 10.4 0.3 O B:HOH5026 2.1 28.1 0.7 O B:HOH5029 2.1 28.1 0.3 OD2 B:ASP51 2.2 23.4 1.0 OG1 B:THR155 2.3 16.2 1.0 CD B:GLU322 3.0 14.5 1.0 CG B:ASP51 3.1 14.9 1.0 CB B:THR155 3.2 14.7 1.0 OE2 B:GLU322 3.5 10.8 1.0 CB B:ASP51 3.6 15.2 1.0 OD2 B:ASP153 3.6 11.1 1.0 CG2 B:THR155 4.1 14.3 1.0 O B:HOH5066 4.1 14.9 1.0 OG B:SER102 4.1 45.5 1.0 OD1 B:ASP51 4.2 16.1 1.0 N B:THR155 4.2 17.9 1.0 CA B:THR155 4.3 18.3 1.0 O B:HOH5064 4.3 15.4 1.0 CG B:GLU322 4.3 15.9 1.0 CA B:ALA324 4.5 19.6 1.0 CB B:ALA324 4.6 24.6 1.0 CB B:SER102 4.6 24.7 1.0 O B:ALA324 4.6 11.6 1.0 CG B:ASP153 4.7 17.7 1.0 O1 B:PO4557 4.7 39.5 0.4 ZN B:ZN451 4.7 21.9 1.0 O3 B:PO4557 4.7 39.2 0.4 OD1 B:ASP369 4.9 18.4 1.0 CA B:ASP51 4.9 13.7 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