Magnesium in PDB 4xel: Crystal Structure of Inorganic Pyrophosphatase (Ppase) From Pseudomonas Aeruginosa

All present enzymatic activity of Crystal Structure of Inorganic Pyrophosphatase (Ppase) From Pseudomonas Aeruginosa:
3.6.1.1;

The structure of Crystal Structure of Inorganic Pyrophosphatase (Ppase) From Pseudomonas Aeruginosa, PDB code: 4xel was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.03 / 2.00
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	82.360, 82.360, 125.220, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 26.4

The structure of Crystal Structure of Inorganic Pyrophosphatase (Ppase) From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Inorganic Pyrophosphatase (Ppase) From Pseudomonas Aeruginosa (pdb code 4xel). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Inorganic Pyrophosphatase (Ppase) From Pseudomonas Aeruginosa, PDB code: 4xel:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Inorganic Pyrophosphatase (Ppase) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Inorganic Pyrophosphatase (Ppase) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg204 b:48.2 occ:1.00 O A:HOH389 2.1 38.3 1.0 OD1 A:ASP71 2.1 33.6 1.0 O A:HOH390 2.3 42.2 1.0 O A:HOH388 2.3 40.2 1.0 O A:HOH322 2.4 27.7 1.0 O A:HOH333 2.6 43.7 1.0 CG A:ASP71 3.2 42.4 1.0 OD2 A:ASP71 3.7 37.8 1.0 OH A:TYR56 3.9 35.0 1.0 O A:HOH391 4.0 43.9 1.0 O A:HOH329 4.1 42.0 1.0 NA A:NA201 4.1 40.8 1.0 OE1 A:GLU21 4.3 37.5 1.0 O A:PRO69 4.4 46.0 1.0 CB A:ASP71 4.4 35.0 1.0 CE2 A:TYR56 4.5 26.8 1.0 CB A:ASP68 4.5 48.9 1.0 CZ A:TYR56 4.6 34.8 1.0 O A:HOH361 4.6 41.7 1.0 OD2 A:ASP68 4.7 56.6 1.0 O A:GLY57 4.7 33.2 1.0 OE2 A:GLU21 4.7 57.3 1.0 CA A:ASP71 4.8 38.4 1.0 CB A:PHE58 4.9 40.2 1.0 CG A:ASP68 5.0 56.6 1.0 CD A:GLU21 5.0 55.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Inorganic Pyrophosphatase (Ppase) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Inorganic Pyrophosphatase (Ppase) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:49.0 occ:1.00 O B:HOH343 2.2 38.8 1.0 O B:HOH335 2.3 29.9 1.0 OD1 B:ASP71 2.3 38.3 1.0 O B:HOH321 2.4 28.8 1.0 O B:HOH317 2.4 34.8 1.0 O B:HOH323 2.5 43.0 1.0 CG B:ASP71 3.3 44.9 1.0 OD2 B:ASP71 3.9 40.0 1.0 OH B:TYR56 4.0 36.2 1.0 O B:HOH337 4.2 39.3 1.0 O B:PRO69 4.2 39.8 1.0 OE1 B:GLU21 4.3 24.9 0.5 NA B:NA202 4.3 43.3 1.0 CB B:ASP71 4.4 36.8 1.0 CE2 B:TYR56 4.6 33.2 1.0 O B:GLY57 4.6 29.6 1.0 CZ B:TYR56 4.6 34.9 1.0 CB B:ASP68 4.7 47.1 1.0 OE2 B:GLU21 4.7 56.4 0.5 CA B:ASP71 4.8 34.7 1.0 CB B:PHE58 4.8 34.9 1.0 OD2 B:ASP68 4.9 52.5 1.0 CD B:GLU21 4.9 47.6 0.5 O B:HOH328 4.9 44.5 1.0

J.Abendroth, A.H.Sullivan, D.D.Lorimer, T.E.Edwards. Crystal Structure of Inorganic Pyrophosphatase (Ppase) From Pseudomonas Aeruginosa To Be Published.