Magnesium in PDB 7l4i: Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase

All present enzymatic activity of Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase:
3.1.3.16;

The structure of Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase, PDB code: 7l4i was solved by A.R.Khan, D.Waschbusch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.97 / 2.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.688, 101.105, 148.974, 90, 90, 90
R / Rfree (%)	19 / 23.6

The binding sites of Magnesium atom in the Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase (pdb code 7l4i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase, PDB code: 7l4i:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase


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 A Substrate-Trapping Variant of PPM1H Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg600 b:54.2 occ:1.00 OD2 A:ASP498 1.9 50.2 1.0 OD2 A:ASP151 2.0 49.3 1.0 O A:HOH714 2.1 48.9 1.0 O A:HOH710 2.1 61.9 1.0 OD1 A:ASP437 2.1 53.3 1.0 CG A:ASP151 2.9 52.2 1.0 CG A:ASP498 3.0 45.1 1.0 CG A:ASP437 3.1 53.0 1.0 OD1 A:ASP151 3.2 55.5 1.0 OD2 A:ASP437 3.4 45.7 1.0 OD1 A:ASP498 3.5 54.4 1.0 MG A:MG601 3.7 56.5 1.0 O A:HOH730 3.9 49.4 1.0 N A:GLY438 4.0 41.3 1.0 O A:HOH711 4.1 52.9 1.0 O A:HOH727 4.1 66.8 1.0 OD1 A:ASP94 4.1 48.9 1.0 O A:ASP499 4.2 53.0 1.0 CB A:ASP151 4.2 47.4 1.0 CB A:ASP498 4.2 36.6 1.0 N A:ASP437 4.4 34.7 1.0 CB A:ASP437 4.5 39.2 1.0 CB A:THR436 4.5 40.1 1.0 C A:ASP437 4.7 43.0 1.0 CA A:GLY438 4.7 44.5 1.0 CA A:ASP437 4.8 39.0 1.0 OG1 A:THR436 4.9 47.2 1.0 OD2 A:ASP94 5.0 57.5 1.0 CG A:ASP94 5.0 56.3 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase


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 A Substrate-Trapping Variant of PPM1H Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:56.5 occ:1.00 O A:HOH727 2.0 66.8 1.0 OD1 A:ASP151 2.0 55.5 1.0 O A:HOH716 2.5 52.7 1.0 O A:GLY152 2.5 45.0 1.0 O A:HOH711 2.5 52.9 1.0 CG A:ASP151 3.1 52.2 1.0 O A:HOH714 3.6 48.9 1.0 OD2 A:ASP151 3.6 49.3 1.0 C A:GLY152 3.7 47.2 1.0 MG A:MG600 3.7 54.2 1.0 N A:GLY152 4.0 42.6 1.0 OD1 A:ASP498 4.2 54.4 1.0 OE1 A:GLU93 4.2 65.9 1.0 C A:ASP151 4.3 45.1 1.0 CB A:GLU93 4.3 44.5 1.0 O A:HOH710 4.4 61.9 1.0 CB A:ASP151 4.4 47.4 1.0 CA A:GLY152 4.4 50.5 1.0 OD1 A:ASP94 4.4 48.9 1.0 OD2 A:ASP499 4.5 49.3 1.0 OD2 A:ASP498 4.6 50.2 1.0 CA A:ASP151 4.6 50.5 1.0 N A:HIS153 4.7 41.7 1.0 CG A:ASP498 4.8 45.1 1.0 O A:ASP151 4.8 48.1 1.0 O A:GLU93 4.9 33.7 1.0 CA A:HIS153 4.9 48.5 1.0 C A:GLU93 5.0 48.7 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg600 b:66.7 occ:1.00 OD1 B:ASP151 2.0 54.0 1.0 O B:GLY152 2.4 49.2 1.0 O B:HOH709 2.5 63.5 1.0 CG B:ASP151 3.1 44.0 1.0 MG B:MG601 3.3 47.8 1.0 OD2 B:ASP151 3.6 38.4 1.0 C B:GLY152 3.6 47.9 1.0 O B:HOH719 3.6 39.3 1.0 OE1 B:GLU93 4.1 87.7 1.0 N B:GLY152 4.1 48.6 1.0 O B:HOH707 4.1 63.0 1.0 OD1 B:ASP498 4.2 59.3 1.0 C B:ASP151 4.2 48.0 1.0 OD1 B:ASP94 4.3 71.2 1.0 O B:HOH720 4.3 48.4 1.0 CB B:GLU93 4.3 58.6 1.0 CB B:ASP151 4.4 41.1 1.0 OD2 B:ASP499 4.4 56.6 1.0 CA B:GLY152 4.5 44.9 1.0 N B:HIS153 4.6 45.8 1.0 CA B:ASP151 4.6 39.5 1.0 O B:ASP151 4.6 51.7 1.0 CA B:HIS153 4.7 54.3 1.0 NZ B:LYS88 4.8 87.3 1.0 CB B:HIS153 4.8 51.6 1.0 OD2 B:ASP498 4.8 57.8 1.0 CG B:ASP498 4.9 55.1 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:47.8 occ:1.00 O B:HOH719 2.1 39.3 1.0 O B:HOH720 2.1 48.4 1.0 OD2 B:ASP498 2.1 57.8 1.0 OD2 B:ASP151 2.2 38.4 1.0 OD1 B:ASP437 2.5 55.4 1.0 CG B:ASP498 2.9 55.1 1.0 CG B:ASP151 2.9 44.0 1.0 OD1 B:ASP151 3.1 54.0 1.0 OD1 B:ASP498 3.1 59.3 1.0 MG B:MG600 3.3 66.7 1.0 CG B:ASP437 3.5 54.1 1.0 OD2 B:ASP437 3.7 57.0 1.0 O B:HOH709 4.0 63.5 1.0 O B:ASP499 4.2 57.7 1.0 OD1 B:ASP94 4.3 71.2 1.0 CB B:ASP151 4.3 41.1 1.0 CB B:ASP498 4.3 51.2 1.0 N B:GLY438 4.4 42.3 1.0 O B:HOH718 4.5 33.6 1.0 NZ B:LYS88 4.8 87.3 1.0 N B:ASP437 4.8 44.9 1.0 CB B:ASP437 4.8 49.7 1.0 CB B:THR436 4.9 42.2 1.0 N B:ASP499 4.9 58.1 1.0 OG1 B:THR436 5.0 47.1 1.0

A.R.Khan, D.Waschbusch. Crystal Structure of A Substrate-Trapping Variant of PPM1H Phosphatase To Be Published.