Magnesium in PDB 6b65: Impase (AF2372) R92Q/K164E

All present enzymatic activity of Impase (AF2372) R92Q/K164E:
3.1.3.11; 3.1.3.25;

The structure of Impase (AF2372) R92Q/K164E, PDB code: 6b65 was solved by R.I.Goldstein, M.Roberts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.48 / 2.70
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	90.315, 90.315, 101.412, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 24.7

The binding sites of Magnesium atom in the Impase (AF2372) R92Q/K164E (pdb code 6b65). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Impase (AF2372) R92Q/K164E, PDB code: 6b65:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Impase (AF2372) R92Q/K164E


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Impase (AF2372) R92Q/K164E within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:24.5 occ:1.00 OG1 A:THR40 2.2 36.6 1.0 OE2 A:GLU68 2.3 47.9 1.0 OD1 A:ASP38 2.6 36.3 1.0 O A:PRO41 2.7 38.2 1.0 O A:THR40 3.1 35.3 1.0 CB A:THR40 3.2 48.4 1.0 C A:THR40 3.2 32.3 1.0 OE1 A:GLU67 3.3 42.8 1.0 C A:PRO41 3.4 33.0 1.0 CD A:GLU68 3.5 42.6 1.0 MG A:MG903 3.5 45.1 1.0 CG A:ASP38 3.6 41.2 1.0 CA A:THR40 3.6 39.2 1.0 OD2 A:ASP38 3.8 42.0 1.0 N A:PRO41 3.8 34.4 1.0 CG A:GLU67 3.9 35.0 1.0 N A:THR40 4.0 38.3 1.0 CD A:GLU67 4.0 42.5 1.0 O A:HOH1009 4.0 43.1 1.0 N A:THR42 4.0 33.7 1.0 CA A:PRO41 4.2 43.4 1.0 CA A:GLY36 4.2 37.5 1.0 OE1 A:GLU68 4.4 47.1 1.0 CA A:THR42 4.4 28.2 1.0 CG A:GLU68 4.4 40.8 1.0 N A:GLY36 4.5 33.8 1.0 CG2 A:THR40 4.6 46.7 1.0 OG1 A:THR42 4.6 33.4 1.0 O A:GLU67 4.7 36.0 1.0 CB A:ASP38 4.9 36.0 1.0

Magnesium binding site 2 out of 4 in the Impase (AF2372) R92Q/K164E


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Impase (AF2372) R92Q/K164E within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:45.1 occ:1.00 O A:HOH1009 2.1 43.1 1.0 OE1 A:GLU67 2.2 42.8 1.0 O3 A:SO4901 2.3 44.3 1.0 CD A:GLU67 3.1 42.5 1.0 OD1 A:ASP46 3.3 32.0 1.0 OE2 A:GLU68 3.5 47.9 1.0 MG A:MG902 3.5 24.5 1.0 OE2 A:GLU67 3.6 39.9 1.0 S A:SO4901 3.7 62.9 1.0 OG1 A:THR87 3.7 28.5 1.0 CG A:ASP46 3.8 37.9 1.0 OD2 A:ASP46 3.8 39.3 1.0 O A:HOH1003 4.0 29.8 1.0 O A:PRO41 4.0 38.2 1.0 OE1 A:GLU68 4.1 47.1 1.0 O4 A:SO4901 4.1 41.9 1.0 CD A:GLU68 4.2 42.6 1.0 OG1 A:THR40 4.2 36.6 1.0 CG A:GLU67 4.3 35.0 1.0 CB A:THR87 4.4 39.0 1.0 O1 A:SO4901 4.4 50.5 1.0 O2 A:SO4901 4.6 37.0 1.0 CG2 A:THR87 4.9 33.2 1.0 CB A:ASP46 5.0 30.4 1.0

Magnesium binding site 3 out of 4 in the Impase (AF2372) R92Q/K164E


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Impase (AF2372) R92Q/K164E within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:25.8 occ:1.00 CG2 B:THR40 2.1 37.0 1.0 OE2 B:GLU68 2.4 41.1 1.0 OD1 B:ASP38 2.5 39.0 1.0 O B:THR40 3.0 45.2 1.0 O B:PRO41 3.3 38.1 1.0 CD B:GLU68 3.3 39.5 1.0 OE2 B:GLU67 3.3 40.3 1.0 C B:THR40 3.4 41.6 1.0 OE1 B:GLU68 3.4 43.4 1.0 CB B:THR40 3.4 51.0 1.0 CG B:ASP38 3.6 43.7 1.0 C B:PRO41 3.6 39.3 1.0 MG B:MG304 3.7 44.7 1.0 CG B:GLU67 3.8 31.5 1.0 CA B:THR40 3.8 47.1 1.0 CD B:GLU67 3.9 37.8 1.0 N B:THR42 4.0 37.4 1.0 N B:PRO41 4.0 36.9 1.0 CA B:GLY36 4.1 42.3 1.0 OD2 B:ASP38 4.1 43.7 1.0 OG1 B:THR40 4.1 66.3 1.0 N B:THR40 4.1 44.1 1.0 CA B:THR42 4.3 29.8 1.0 CA B:PRO41 4.3 44.4 1.0 OG1 B:THR42 4.4 35.5 1.0 N B:GLY36 4.4 34.5 1.0 O B:GLU67 4.5 32.6 1.0 CB B:ASP38 4.7 34.0 1.0 CG B:GLU68 4.7 31.0 1.0 C B:GLU67 4.9 34.1 1.0 CB B:THR42 4.9 32.6 1.0 C B:GLY36 5.0 45.2 1.0

Magnesium binding site 4 out of 4 in the Impase (AF2372) R92Q/K164E


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Impase (AF2372) R92Q/K164E within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg304 b:44.7 occ:1.00 O1 B:SO4302 2.0 48.3 1.0 OE2 B:GLU67 2.3 40.3 1.0 CD B:GLU67 3.2 37.8 1.0 S B:SO4302 3.4 57.8 1.0 OE1 B:GLU68 3.6 43.4 1.0 OE1 B:GLU67 3.6 36.4 1.0 OD2 B:ASP46 3.7 29.6 1.0 MG B:MG303 3.7 25.8 1.0 OG1 B:THR87 3.8 31.7 1.0 CG2 B:THR40 3.8 37.0 1.0 O2 B:SO4302 3.9 54.1 1.0 OD1 B:ASP46 3.9 45.6 1.0 CG B:ASP46 4.0 40.1 1.0 O B:HOH405 4.1 32.5 1.0 O3 B:SO4302 4.1 43.1 1.0 O B:PRO41 4.2 38.1 1.0 CB B:THR87 4.3 36.8 1.0 O4 B:SO4302 4.4 37.7 1.0 CG B:GLU67 4.4 31.5 1.0 CD B:GLU68 4.5 39.5 1.0 OE2 B:GLU68 4.7 41.1 1.0 OG1 B:THR40 4.7 66.3 1.0 CG2 B:THR87 4.8 45.1 1.0 CB B:THR40 4.9 51.0 1.0

R.I.Goldstein, M.Roberts. Osmolyte Binding Capacity of A Dual Action Impase/Fbpase (AF2372) To Be Published.