Magnesium in PDB 6ak7: Crystal Structure of PPM1K-N94K

All present enzymatic activity of Crystal Structure of PPM1K-N94K:
3.1.3.16;

The structure of Crystal Structure of PPM1K-N94K, PDB code: 6ak7 was solved by R.D.Meisam, L.L.Guo, P.Xiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.45 / 2.61
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	122.784, 122.784, 61.580, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 22.4

The binding sites of Magnesium atom in the Crystal Structure of PPM1K-N94K (pdb code 6ak7). 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 PPM1K-N94K, PDB code: 6ak7:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of PPM1K-N94K


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 PPM1K-N94K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:42.4 occ:1.00 OD2 A:ASP298 2.1 43.8 1.0 OD2 A:ASP337 2.1 49.7 1.0 O A:HOH646 2.1 40.6 1.0 OD2 A:ASP127 2.2 40.7 1.0 O A:HOH627 2.3 37.0 1.0 O A:HOH619 2.5 47.9 1.0 CG A:ASP298 2.9 45.9 1.0 OD1 A:ASP298 3.0 48.0 1.0 CG A:ASP127 3.0 38.4 1.0 CG A:ASP337 3.1 51.0 1.0 O A:HOH626 3.2 47.5 1.0 OD1 A:ASP127 3.2 41.2 1.0 MG A:MG505 3.2 37.1 1.0 OD1 A:ASP337 3.4 46.8 1.0 O A:HOH622 3.5 40.3 1.0 O A:HOH617 4.1 41.8 1.0 CB A:ASP298 4.3 42.5 1.0 O A:HOH604 4.4 36.1 1.0 CB A:ASP127 4.4 37.7 1.0 CB A:ASP337 4.4 46.4 1.0 O A:HOH659 4.5 55.9 1.0 O A:HOH634 4.5 56.4 1.0 N A:GLY299 4.5 34.8 1.0 O A:ASN338 4.5 44.8 1.0 N A:ASP298 4.6 37.1 1.0 OD1 A:ASP109 4.6 40.2 1.0 MG A:MG507 4.7 53.3 1.0 O A:HOH629 4.7 40.5 1.0 CA A:ASP298 4.9 39.0 1.0 O A:HOH642 5.0 50.5 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of PPM1K-N94K


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 PPM1K-N94K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg505 b:37.1 occ:1.00 O A:HOH604 2.0 36.1 1.0 O A:HOH622 2.1 40.3 1.0 OD1 A:ASP127 2.1 41.2 1.0 O A:HOH601 2.1 47.3 1.0 O A:HOH646 2.1 40.6 1.0 O A:GLY128 2.4 37.0 1.0 CG A:ASP127 3.1 38.4 1.0 MG A:MG504 3.2 42.4 1.0 OD2 A:ASP127 3.5 40.7 1.0 C A:GLY128 3.6 38.8 1.0 O A:HOH627 3.8 37.0 1.0 OD1 A:ASN338 3.9 39.5 1.0 OD1 A:ASP109 4.0 40.2 1.0 OD1 A:ASP337 4.0 46.8 1.0 O A:HOH619 4.1 47.9 1.0 O A:HOH633 4.1 44.1 1.0 N A:GLY128 4.2 34.2 1.0 OE1 A:GLU108 4.2 53.7 1.0 O A:HOH629 4.2 40.5 1.0 CB A:GLU108 4.2 42.0 1.0 O A:HOH659 4.3 55.9 1.0 C A:ASP127 4.4 34.8 1.0 CB A:ASP127 4.5 37.7 1.0 OD2 A:ASP337 4.5 49.7 1.0 CA A:GLY128 4.5 40.0 1.0 N A:HIS129 4.6 41.8 1.0 CA A:ASP127 4.7 36.7 1.0 CG A:ASP337 4.7 51.0 1.0 O A:HOH703 4.7 54.5 1.0 CA A:HIS129 4.8 38.4 1.0 O A:HOH626 4.8 47.5 1.0 CB A:HIS129 4.8 40.0 1.0 CG A:ASN338 4.8 42.4 1.0 O A:ASP127 4.8 33.6 1.0 C A:GLU108 4.9 38.0 1.0 O A:GLU108 5.0 35.6 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of PPM1K-N94K


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 PPM1K-N94K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg506 b:43.3 occ:1.00 O A:HOH618 1.6 52.0 1.0 O A:HOH637 1.9 45.2 1.0 O A:HOH608 2.3 42.3 1.0 O A:HOH614 2.3 43.3 1.0 OE1 A:GLU143 2.4 39.7 1.0 OD2 A:ASP112 2.6 47.8 1.0 CD A:GLU143 3.2 41.5 1.0 OE2 A:GLU143 3.2 44.1 1.0 CG A:ASP112 3.5 46.7 1.0 OD1 A:ASP112 3.6 43.4 1.0 O A:HOH613 4.2 41.3 1.0 O A:HIS139 4.5 45.9 1.0 CG A:GLU143 4.6 37.6 1.0 CE1 A:HIS139 4.8 50.0 1.0 CB A:ASP112 4.9 41.7 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of PPM1K-N94K


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 PPM1K-N94K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg507 b:53.3 occ:1.00 O A:HOH634 2.4 56.4 1.0 O A:HOH626 2.5 47.5 1.0 OD1 A:ASP298 2.6 48.0 1.0 OD2 A:ASP208 2.8 56.2 1.0 O A:HOH701 2.8 52.4 1.0 O A:HOH619 2.9 47.9 1.0 O A:HOH636 3.3 51.2 1.0 CG A:ASP298 3.7 45.9 1.0 CG A:ASP208 3.8 45.5 1.0 OD1 A:ASP208 4.1 47.9 1.0 CB A:ALA259 4.1 48.5 1.0 CE A:MET260 4.2 49.6 1.0 O A:HOH691 4.2 56.3 1.0 CB A:ASP298 4.4 42.5 1.0 OD2 A:ASP298 4.6 43.8 1.0 MG A:MG504 4.7 42.4 1.0 O A:HOH677 4.8 48.0 1.0 O A:HOH642 4.9 50.5 1.0

R.D.Meisam, L.L.Guo, P.Xiao. Structure of PPM1K-N94K Mutant at 2.61 Angstroms Resolution To Be Published.