Magnesium in PDB 1huk: Refined Structure of Yeast Inorganic Pyrophosphatase and Its K61R Mutant

All present enzymatic activity of Refined Structure of Yeast Inorganic Pyrophosphatase and Its K61R Mutant:
3.6.1.1;

The structure of Refined Structure of Yeast Inorganic Pyrophosphatase and Its K61R Mutant, PDB code: 1huk was solved by K.Swaminathan, B.S.Cooperman, R.Lahti, D.Voet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.090, 93.060, 51.580, 90.00, 99.62, 90.00
R / Rfree (%)	19.3 / 28.8

The binding sites of Magnesium atom in the Refined Structure of Yeast Inorganic Pyrophosphatase and Its K61R Mutant (pdb code 1huk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Refined Structure of Yeast Inorganic Pyrophosphatase and Its K61R Mutant, PDB code: 1huk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Refined Structure of Yeast Inorganic Pyrophosphatase and Its K61R Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Refined Structure of Yeast Inorganic Pyrophosphatase and Its K61R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg282 b:2.0 occ:1.00 O A:HOH284 1.6 17.8 1.0 O A:HOH283 1.7 36.3 1.0 OD2 A:ASP120 2.1 18.1 1.0 OD1 A:ASP152 2.1 18.2 1.0 OD2 A:ASP115 2.2 11.3 1.0 O A:HOH285 2.7 68.0 1.0 CG A:ASP152 3.0 12.3 1.0 CG A:ASP120 3.0 13.9 1.0 CG A:ASP115 3.1 10.1 1.0 OD2 A:ASP152 3.1 16.9 1.0 OD1 A:ASP120 3.3 14.0 1.0 OD1 A:ASP115 3.5 9.0 1.0 O A:HOH293 3.8 9.2 1.0 CB A:ASP117 4.1 9.4 1.0 NZ A:LYS154 4.2 4.0 1.0 OD2 A:ASP117 4.2 20.0 1.0 O A:HOH440 4.3 13.3 1.0 O A:PRO118 4.3 10.4 1.0 CB A:ASP120 4.4 8.9 1.0 CB A:ASP115 4.4 12.9 1.0 CB A:ASP152 4.4 7.6 1.0 CG A:ASP117 4.6 9.5 1.0 OH A:TYR93 4.6 12.8 1.0 CA A:ASP152 4.8 8.5 1.0

Magnesium binding site 2 out of 2 in the Refined Structure of Yeast Inorganic Pyrophosphatase and Its K61R Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Refined Structure of Yeast Inorganic Pyrophosphatase and Its K61R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg282 b:10.9 occ:1.00 O B:HOH286 1.6 22.9 1.0 O B:HOH287 1.7 34.5 1.0 OD1 B:ASP152 2.6 19.0 1.0 OD2 B:ASP120 2.6 18.1 1.0 O B:HOH285 2.6 17.5 1.0 OD2 B:ASP115 2.7 23.9 1.0 CG B:ASP120 3.3 12.1 1.0 CG B:ASP115 3.5 23.6 1.0 CG B:ASP152 3.6 19.4 1.0 OD1 B:ASP120 3.6 17.7 1.0 OD1 B:ASP115 3.7 23.6 1.0 O B:PRO118 3.8 18.4 1.0 O B:HOH413 3.9 46.3 1.0 OD2 B:ASP152 4.1 19.1 1.0 CB B:ASP120 4.3 13.0 1.0 CB B:ASP117 4.3 17.4 1.0 N B:ASP120 4.4 12.9 1.0 O B:TRP153 4.5 10.5 1.0 NZ B:LYS154 4.5 3.9 1.0 OE2 B:GLU101 4.5 22.2 1.0 O B:HOH408 4.6 29.9 1.0 CB B:ASP152 4.7 16.4 1.0 CA B:ASP152 4.7 17.3 1.0 CD B:GLU101 4.8 23.3 1.0 OD2 B:ASP117 4.8 28.5 1.0 CB B:ASP115 4.8 20.2 1.0 CA B:ASP120 5.0 14.5 1.0

K.Swaminathan, B.S.Cooperman, R.Lahti, D.Voet. Refined Structure of Yeast Inorganic Pyrophosphatase and Its K61R Mutant To Be Published.