Magnesium in PDB 6b62: Impase (AF2372) with 400 Mm Glutamate

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

The structure of Impase (AF2372) with 400 Mm Glutamate, PDB code: 6b62 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)	44.75 / 2.00
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	89.509, 89.509, 103.139, 90.00, 90.00, 120.00
R / Rfree (%)	16.1 / 17.2

The binding sites of Magnesium atom in the Impase (AF2372) with 400 Mm Glutamate (pdb code 6b62). 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) with 400 Mm Glutamate, PDB code: 6b62:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Impase (AF2372) 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) with 400 Mm Glutamate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg505 b:23.3 occ:1.00 OD1 A:ASP82 2.4 29.0 1.0 OE2 A:GLU67 2.5 27.9 1.0 O1 A:SO4507 2.5 26.0 0.8 O A:LEU84 2.6 22.5 1.0 O A:HOH624 2.6 29.1 1.0 O3 A:SO4507 2.7 29.3 0.8 OD2 A:ASP82 2.9 35.5 1.0 CG A:ASP82 3.0 26.7 1.0 S A:SO4507 3.1 32.2 0.8 C A:LEU84 3.4 23.4 1.0 CD A:GLU67 3.5 33.7 1.0 N A:ASP85 4.1 21.1 1.0 CA A:ASP85 4.1 24.4 1.0 OG1 A:THR87 4.1 27.6 1.0 OE1 A:GLU67 4.1 30.1 1.0 O4 A:SO4507 4.1 22.6 0.8 O2 A:SO4507 4.2 31.1 0.8 N A:LEU84 4.2 22.3 1.0 O A:HOH608 4.2 42.8 1.0 CA A:LEU84 4.3 24.1 1.0 OE2 A:GLU68 4.3 31.3 1.0 OD1 A:ASP46 4.4 28.7 1.0 CD A:PRO83 4.5 30.5 1.0 O A:HOH631 4.5 32.9 1.0 CB A:ASP82 4.5 23.1 1.0 CB A:GLU67 4.5 24.6 1.0 CG A:GLU67 4.6 28.4 1.0 CB A:LEU84 4.8 22.2 1.0 CG A:PRO83 4.8 41.0 1.0 CB A:ASP85 4.9 21.1 1.0 CA A:ASP82 5.0 25.7 1.0 OD1 A:ASP200 5.0 35.1 1.0

Magnesium binding site 2 out of 4 in the Impase (AF2372) 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) with 400 Mm Glutamate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg506 b:22.4 occ:1.00 OG1 A:THR40 2.7 27.1 1.0 OE1 A:GLU68 2.8 26.8 1.0 OD1 A:ASP38 2.8 30.2 1.0 OE1 A:GLU67 2.9 30.1 1.0 O A:THR40 2.9 27.7 1.0 O A:HOH631 2.9 32.9 1.0 O A:PRO41 2.9 26.2 1.0 OE2 A:GLU68 3.4 31.3 1.0 C A:THR40 3.4 26.7 1.0 OD2 A:ASP38 3.5 33.1 1.0 CD A:GLU68 3.5 28.6 1.0 CG A:ASP38 3.5 33.4 1.0 C A:PRO41 3.5 31.6 1.0 CD A:GLU67 3.7 33.7 1.0 CB A:THR40 3.8 33.1 1.0 CG A:GLU67 3.8 28.4 1.0 O A:HOH608 3.9 42.8 1.0 CA A:THR40 4.0 26.1 1.0 N A:THR42 4.1 28.4 1.0 N A:PRO41 4.1 25.6 1.0 CA A:THR42 4.3 26.5 1.0 N A:THR40 4.3 26.9 1.0 CA A:GLY36 4.3 25.5 1.0 O A:HOH688 4.3 42.2 1.0 OG1 A:THR42 4.4 26.4 1.0 CA A:PRO41 4.4 27.3 1.0 N A:GLY36 4.6 28.4 1.0 OE2 A:GLU67 4.7 27.9 1.0 CB A:ASP38 4.9 26.4 1.0 CG A:GLU68 4.9 25.4 1.0 CB A:THR42 5.0 26.2 1.0

Magnesium binding site 3 out of 4 in the Impase (AF2372) 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) with 400 Mm Glutamate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg307 b:24.2 occ:1.00 OG1 B:THR40 2.7 28.7 1.0 OE2 B:GLU68 2.8 25.4 1.0 OD1 B:ASP38 2.8 28.3 1.0 O B:THR40 2.9 27.2 1.0 O B:PRO41 2.9 26.1 1.0 OE2 B:GLU67 2.9 29.2 1.0 O B:HOH423 2.9 33.9 1.0 OE1 B:GLU68 3.3 30.9 1.0 C B:THR40 3.4 27.6 1.0 CD B:GLU68 3.4 24.6 1.0 OD2 B:ASP38 3.5 32.1 1.0 CG B:ASP38 3.5 29.2 1.0 C B:PRO41 3.5 29.7 1.0 O B:HOH403 3.5 40.0 1.0 CD B:GLU67 3.7 31.0 1.0 CG B:GLU67 3.8 25.4 1.0 CB B:THR40 3.9 32.7 1.0 CA B:THR40 4.0 26.0 1.0 N B:THR42 4.1 28.5 1.0 N B:PRO41 4.1 27.8 1.0 N B:THR40 4.3 26.6 1.0 CA B:THR42 4.3 27.5 1.0 CA B:GLY36 4.3 24.9 1.0 OG1 B:THR42 4.3 26.9 1.0 CA B:PRO41 4.4 26.4 1.0 O B:HOH495 4.5 45.9 1.0 N B:GLY36 4.6 27.4 1.0 O B:HOH493 4.6 46.5 1.0 OE1 B:GLU67 4.8 27.7 1.0 CG B:GLU68 4.9 25.4 1.0 CB B:ASP38 4.9 24.2 1.0 CB B:THR42 5.0 26.8 1.0 OD2 B:ASP46 5.0 27.1 1.0

Magnesium binding site 4 out of 4 in the Impase (AF2372) 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) with 400 Mm Glutamate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg308 b:23.7 occ:1.00 OD1 B:ASP82 2.4 27.7 1.0 OE1 B:GLU67 2.5 27.7 1.0 O4 B:SO4309 2.5 30.5 0.8 O B:LEU84 2.6 23.7 1.0 O B:HOH430 2.6 27.9 1.0 O2 B:SO4309 2.7 29.3 0.8 OD2 B:ASP82 3.0 34.1 1.0 CG B:ASP82 3.1 28.9 1.0 S B:SO4309 3.1 33.7 0.8 C B:LEU84 3.4 25.3 1.0 CD B:GLU67 3.5 31.0 1.0 OE2 B:GLU67 4.0 29.2 1.0 OG1 B:THR87 4.0 27.1 1.0 O1 B:SO4309 4.1 25.0 0.8 N B:ASP85 4.1 24.1 1.0 CA B:ASP85 4.1 25.9 1.0 O3 B:SO4309 4.2 35.4 0.8 N B:LEU84 4.2 22.6 1.0 O B:HOH403 4.3 40.0 1.0 OE1 B:GLU68 4.3 30.9 1.0 CA B:LEU84 4.4 24.4 1.0 OD1 B:ASP46 4.4 28.6 1.0 O B:HOH423 4.4 33.9 1.0 CB B:GLU67 4.4 22.7 1.0 CB B:ASP82 4.5 21.0 1.0 CG B:GLU67 4.5 25.4 1.0 NH2 B:ARG197 4.8 42.6 1.0 CB B:LEU84 4.8 21.9 1.0 CD B:PRO83 4.9 25.8 1.0

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