Magnesium in PDB 6b66: Impase (AF2372) R92Q/K164E with 400 Mm Glutamate

All present enzymatic activity of Impase (AF2372) R92Q/K164E with 400 Mm Glutamate:
3.1.3.11; 3.1.3.25;

The structure of Impase (AF2372) R92Q/K164E with 400 Mm Glutamate, PDB code: 6b66 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)	33.65 / 2.50
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	89.906, 89.906, 100.935, 90.00, 90.00, 120.00
R / Rfree (%)	15.7 / 20.1

The binding sites of Magnesium atom in the Impase (AF2372) R92Q/K164E with 400 Mm Glutamate (pdb code 6b66). 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 with 400 Mm Glutamate, PDB code: 6b66:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Impase (AF2372) R92Q/K164E with 400 Mm Glutamate


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 with 400 Mm Glutamate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:11.7 occ:1.00 O A:HOH604 1.7 33.7 1.0 OG1 A:THR40 2.3 23.7 1.0 OD1 A:ASP38 2.3 28.4 1.0 O A:THR40 2.6 26.7 1.0 OE1 A:GLU67 2.8 31.9 1.0 OE1 A:GLU68 3.0 26.2 1.0 O A:PRO41 3.1 25.0 1.0 CG A:ASP38 3.1 26.0 1.0 C A:THR40 3.2 23.5 1.0 OD2 A:ASP38 3.3 28.4 1.0 CB A:THR40 3.5 25.4 1.0 O A:HOH627 3.7 29.3 1.0 CD A:GLU67 3.7 28.6 1.0 CA A:THR40 3.7 16.8 1.0 C A:PRO41 3.8 24.9 1.0 OE2 A:GLU68 3.8 23.1 1.0 CD A:GLU68 3.8 24.9 1.0 CG A:GLU67 3.8 20.5 1.0 N A:THR40 3.9 17.6 1.0 O A:HOH620 3.9 28.6 1.0 N A:PRO41 4.1 21.4 1.0 CA A:GLY36 4.1 23.6 1.0 N A:THR42 4.4 20.4 1.0 N A:GLY36 4.4 21.9 1.0 OG1 A:THR42 4.5 32.9 1.0 CB A:ASP38 4.5 20.9 1.0 CA A:PRO41 4.5 27.9 1.0 CA A:THR42 4.6 23.6 1.0 O A:GLU67 4.7 28.1 1.0 CG2 A:THR40 4.7 16.9 1.0 OE2 A:GLU67 4.8 22.7 1.0 C A:GLY36 5.0 23.1 1.0 NH1 A:ARG197 5.0 17.5 0.5

Magnesium binding site 2 out of 4 in the Impase (AF2372) R92Q/K164E with 400 Mm Glutamate


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 with 400 Mm Glutamate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg505 b:24.6 occ:1.00 O A:HOH642 2.1 22.7 1.0 OE2 A:GLU67 2.1 22.7 1.0 OD1 A:ASP82 2.1 23.5 1.0 O A:LEU84 2.2 32.2 1.0 O2 A:SO4507 2.3 36.9 0.8 O3 A:SO4507 2.6 28.4 0.8 S A:SO4507 2.9 71.6 0.8 CG A:ASP82 3.2 27.4 1.0 C A:LEU84 3.2 21.1 1.0 CD A:GLU67 3.3 28.6 1.0 OD2 A:ASP82 3.6 26.1 1.0 O A:HOH627 3.8 29.3 1.0 OE1 A:GLU67 3.9 31.9 1.0 O1 A:SO4507 3.9 45.2 0.8 O4 A:SO4507 4.0 20.6 0.8 N A:LEU84 4.0 18.3 1.0 N A:ASP85 4.0 21.7 1.0 OD1 A:ASP46 4.1 27.6 1.0 OG1 A:THR87 4.1 23.0 1.0 OE2 A:GLU68 4.1 23.1 1.0 CA A:ASP85 4.1 22.1 1.0 CA A:LEU84 4.1 20.0 1.0 CB A:GLU67 4.4 17.7 1.0 CD A:PRO83 4.4 20.2 1.0 CG A:GLU67 4.4 20.5 1.0 CB A:ASP82 4.5 19.8 1.0 CB A:LEU84 4.6 22.5 1.0 O A:HOH601 4.7 56.5 1.0 N A:PRO83 4.8 26.4 1.0 CA A:ASP82 4.8 22.6 1.0 O A:HOH620 4.8 28.6 1.0 CG A:PRO83 4.9 23.6 1.0 C A:ASP82 4.9 25.6 1.0 CG A:ASP46 4.9 24.8 1.0 CB A:ASP85 5.0 20.2 1.0

Magnesium binding site 3 out of 4 in the Impase (AF2372) R92Q/K164E with 400 Mm Glutamate


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 with 400 Mm Glutamate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg504 b:7.7 occ:1.00 OG1 B:THR40 2.4 22.3 1.0 OD1 B:ASP38 2.6 24.3 1.0 OE2 B:GLU67 2.7 26.2 1.0 OD2 B:ASP38 2.9 22.7 1.0 OE2 B:GLU68 2.9 24.5 1.0 O B:THR40 2.9 29.4 1.0 O B:PRO41 3.1 24.1 1.0 CG B:ASP38 3.1 26.8 1.0 O B:HOH612 3.2 31.9 1.0 C B:THR40 3.4 24.7 1.0 OE1 B:GLU68 3.6 28.7 1.0 CD B:GLU67 3.6 26.8 1.0 CD B:GLU68 3.6 28.5 1.0 O B:HOH606 3.6 27.4 1.0 CB B:THR40 3.6 26.5 1.0 CG B:GLU67 3.8 26.6 1.0 C B:PRO41 3.8 29.7 1.0 CA B:THR40 3.9 22.9 1.0 N B:THR40 4.2 23.9 1.0 N B:PRO41 4.2 28.1 1.0 CA B:GLY36 4.3 23.5 1.0 N B:THR42 4.5 23.1 1.0 CB B:ASP38 4.5 20.5 1.0 N B:GLY36 4.6 23.9 1.0 CA B:PRO41 4.6 28.8 1.0 OG1 B:THR42 4.6 26.5 1.0 CA B:THR42 4.6 25.4 1.0 OE1 B:GLU67 4.7 30.8 1.0 CG2 B:THR40 4.8 16.3 1.0 O B:GLU67 4.8 27.7 1.0

Magnesium binding site 4 out of 4 in the Impase (AF2372) R92Q/K164E with 400 Mm Glutamate


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 with 400 Mm Glutamate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg505 b:34.3 occ:1.00 O2 B:SO4506 2.1 41.9 0.8 O B:HOH632 2.1 27.6 1.0 OE1 B:GLU67 2.1 30.8 1.0 OD1 B:ASP82 2.1 27.3 1.0 O B:LEU84 2.3 26.2 1.0 CG B:ASP82 3.2 24.2 1.0 CD B:GLU67 3.2 26.8 1.0 C B:LEU84 3.3 21.5 1.0 S B:SO4506 3.3 67.2 0.8 OD2 B:ASP82 3.5 28.0 1.0 O3 B:SO4506 3.7 47.0 0.8 OE2 B:GLU67 3.7 26.2 1.0 O B:HOH612 3.9 31.9 1.0 OD1 B:ASP46 4.0 27.9 1.0 O4 B:SO4506 4.0 20.1 0.8 N B:LEU84 4.0 18.3 1.0 N B:ASP85 4.1 22.1 1.0 OG1 B:THR87 4.1 22.3 1.0 CA B:ASP85 4.1 22.5 1.0 OE1 B:GLU68 4.2 28.7 1.0 CA B:LEU84 4.2 23.7 1.0 O1 B:SO4506 4.4 51.9 0.8 CG B:GLU67 4.4 26.6 1.0 CB B:GLU67 4.4 21.7 1.0 CD B:PRO83 4.4 21.1 1.0 CB B:ASP82 4.5 16.1 1.0 CB B:LEU84 4.6 17.5 1.0 CA B:ASP82 4.8 21.6 1.0 N B:PRO83 4.8 27.4 1.0 NH2 B:ARG197 4.9 19.4 0.5 CG B:ASP46 4.9 25.1 1.0 O B:HOH606 4.9 27.4 1.0 C B:ASP82 5.0 27.7 1.0 CG B:PRO83 5.0 25.7 1.0

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