Magnesium in PDB 4ja7: Rat PP5 Co-Crystallized with P5SA-2

All present enzymatic activity of Rat PP5 Co-Crystallized with P5SA-2:
3.1.3.16;

The structure of Rat PP5 Co-Crystallized with P5SA-2, PDB code: 4ja7 was solved by V.Haslbeck, M.Helmuth, F.Alte, G.Popowicz, W.Schmidt, M.Weiwad, G.Fischer, G.Gemmecker, M.Sattler, F.Striggow, M.Groll, K.Richter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	51.100, 51.100, 365.670, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 26.2

The binding sites of Magnesium atom in the Rat PP5 Co-Crystallized with P5SA-2 (pdb code 4ja7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Rat PP5 Co-Crystallized with P5SA-2, PDB code: 4ja7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Rat PP5 Co-Crystallized with P5SA-2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Rat PP5 Co-Crystallized with P5SA-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:34.8 occ:1.00 NE2 A:HIS352 2.0 34.6 1.0 ND1 A:HIS427 2.1 40.6 1.0 OD1 A:ASN303 2.1 42.6 1.0 OD2 A:ASP271 2.2 38.6 1.0 MG A:MG502 2.8 43.0 1.0 CE1 A:HIS352 2.9 33.6 1.0 O A:HOH700 3.0 50.9 1.0 CE1 A:HIS427 3.0 42.1 1.0 CD2 A:HIS352 3.1 29.5 1.0 CG A:ASN303 3.2 47.3 1.0 CG A:HIS427 3.2 39.2 1.0 CG A:ASP271 3.3 36.3 1.0 CA A:HIS427 3.5 36.4 1.0 ND2 A:ASN303 3.7 44.9 1.0 CB A:HIS427 3.7 36.5 1.0 O A:HOH610 3.7 38.2 1.0 OD1 A:ASP271 3.7 33.4 1.0 OD2 A:ASP242 3.7 37.8 1.0 O A:HIS427 3.9 42.5 1.0 ND1 A:HIS352 4.1 31.4 1.0 NE2 A:HIS427 4.2 43.6 1.0 C A:HIS427 4.2 42.3 1.0 CG A:HIS352 4.2 33.5 1.0 CD2 A:HIS427 4.3 38.8 1.0 CD2 A:HIS304 4.5 40.7 1.0 CB A:ASP271 4.5 36.5 1.0 CB A:ASN303 4.5 36.8 1.0 N A:HIS427 4.5 33.5 1.0 CG A:ASP242 4.7 37.8 1.0 N A:ASN303 4.7 36.0 1.0 NE2 A:HIS244 4.7 42.2 1.0 OD1 A:ASP242 4.9 42.2 1.0 O A:LEU385 4.9 32.9 1.0

Magnesium binding site 2 out of 2 in the Rat PP5 Co-Crystallized with P5SA-2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Rat PP5 Co-Crystallized with P5SA-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:43.0 occ:1.00 NE2 A:HIS244 2.1 42.2 1.0 OD2 A:ASP271 2.1 38.6 1.0 OD2 A:ASP242 2.2 37.8 1.0 O A:HOH610 2.4 38.2 1.0 MG A:MG501 2.8 34.8 1.0 CE1 A:HIS244 2.9 39.5 1.0 CG A:ASP271 3.0 36.3 1.0 CD2 A:HIS244 3.2 37.1 1.0 CG A:ASP242 3.3 37.8 1.0 O A:HOH700 3.4 50.9 1.0 CB A:ASP271 3.4 36.5 1.0 CE1 A:HIS352 4.0 33.6 1.0 NE2 A:HIS352 4.0 34.6 1.0 OD1 A:ASP271 4.1 33.4 1.0 CB A:ASP242 4.1 35.8 1.0 CD2 A:HIS304 4.1 40.7 1.0 O A:HOH640 4.1 52.6 1.0 ND1 A:HIS244 4.1 40.8 1.0 OD1 A:ASP242 4.2 42.2 1.0 OD1 A:ASN303 4.2 42.6 1.0 O A:HIS427 4.3 42.5 1.0 CG A:HIS244 4.3 36.7 1.0 CA A:HIS427 4.5 36.4 1.0 ND1 A:HIS427 4.6 40.6 1.0 NE2 A:HIS304 4.6 42.5 1.0 OH A:TYR451 4.7 43.8 1.0 C A:HIS427 4.8 42.3 1.0 OE2 A:GLU76 4.8 70.0 1.0 CE1 A:PHE446 4.9 35.5 1.0 CA A:ASP271 4.9 37.9 1.0 CG A:HIS304 4.9 42.0 1.0

V.Haslbeck, M.Helmuth, F.Alte, G.Popowicz, W.Schmidt, M.Weiwad, G.Fischer, G.Gemmecker, M.Sattler, F.Striggow, M.Groll, K.Richter. Selective Targeting of the Autoinhibition of PP5 Reduces Tau Phosphorylation in Mouse. To Be Published.