Magnesium in PDB 2p8e: Crystal Structure of the Serine/Threonine Phosphatase Domain of Human PPM1B

All present enzymatic activity of Crystal Structure of the Serine/Threonine Phosphatase Domain of Human PPM1B:
3.1.3.16;

The structure of Crystal Structure of the Serine/Threonine Phosphatase Domain of Human PPM1B, PDB code: 2p8e was solved by J.B.Bonanno, J.Freeman, K.T.Bain, C.Lau, W.Xu, D.Smith, S.Wasserman, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center Forstructural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.399, 92.315, 118.713, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 24.6

The binding sites of Magnesium atom in the Crystal Structure of the Serine/Threonine Phosphatase Domain of Human PPM1B (pdb code 2p8e). 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 the Serine/Threonine Phosphatase Domain of Human PPM1B, PDB code: 2p8e:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Serine/Threonine Phosphatase Domain of Human PPM1B


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 the Serine/Threonine Phosphatase Domain of Human PPM1B within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg306 b:16.4 occ:1.00 OD2 A:ASP286 2.1 25.7 1.0 OD1 A:ASP243 2.1 20.6 1.0 O A:HOH307 2.2 19.0 1.0 OD2 A:ASP60 2.3 20.3 1.0 OD1 A:OCS242 2.9 23.8 1.0 CG A:ASP60 3.0 18.9 1.0 CG A:ASP286 3.1 26.4 1.0 OD1 A:ASP60 3.1 19.5 1.0 O A:HOH459 3.2 48.7 1.0 CG A:ASP243 3.3 22.0 1.0 OD1 A:ASP286 3.4 26.3 1.0 N A:GLY244 3.9 20.0 1.0 SG A:OCS242 4.0 20.8 1.0 O A:HOH462 4.0 17.8 1.0 OD2 A:ASP243 4.0 30.1 1.0 OD3 A:OCS242 4.1 25.3 1.0 O A:HOH311 4.2 15.0 1.0 O A:HOH445 4.2 42.1 1.0 O A:ASN287 4.3 18.0 1.0 O A:HOH428 4.3 29.8 1.0 N A:ASP243 4.3 20.4 1.0 CB A:ASP286 4.3 24.0 1.0 CB A:OCS242 4.4 18.3 1.0 CB A:ASP60 4.4 15.8 1.0 CB A:ASP243 4.5 20.4 1.0 C A:ASP243 4.6 19.6 1.0 CA A:GLY244 4.7 21.4 1.0 CA A:ASP243 4.7 19.9 1.0 O A:HOH494 4.9 26.3 1.0 O A:HOH345 5.0 25.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Serine/Threonine Phosphatase Domain of Human PPM1B


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 the Serine/Threonine Phosphatase Domain of Human PPM1B within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg306 b:15.2 occ:1.00 O B:HOH355 2.2 21.9 1.0 OD2 B:ASP60 2.2 15.6 1.0 OD2 B:ASP286 2.3 24.8 1.0 OD1 B:ASP243 2.3 23.0 1.0 O B:HOH334 2.4 39.0 1.0 CG B:ASP60 2.9 15.2 1.0 OD1 B:ASP60 3.0 14.3 1.0 OD1 B:OCS242 3.1 21.6 1.0 CG B:ASP286 3.1 20.4 1.0 OD1 B:ASP286 3.4 23.2 1.0 CG B:ASP243 3.5 24.1 1.0 O B:HOH473 3.9 11.4 1.0 OD3 B:OCS242 4.0 19.0 1.0 OD2 B:ASP243 4.0 26.9 1.0 O B:HOH503 4.1 41.7 1.0 N B:GLY244 4.1 21.5 1.0 SG B:OCS242 4.1 20.6 1.0 O B:ASN287 4.4 17.1 1.0 CB B:ASP60 4.4 12.7 1.0 O B:HOH359 4.4 20.1 1.0 O B:HOH311 4.4 11.5 1.0 CB B:ASP286 4.4 20.5 1.0 N B:ASP243 4.5 18.5 1.0 CB B:OCS242 4.6 16.3 1.0 CB B:ASP243 4.7 20.7 1.0 CA B:GLY244 4.7 21.1 1.0 O B:HOH361 4.8 20.9 1.0 C B:ASP243 4.8 20.9 1.0 CA B:ASP243 4.9 20.6 1.0 O B:HOH382 4.9 20.1 1.0

S.C.Almo, J.B.Bonanno, J.M.Sauder, S.Emtage, T.P.Dilorenzo, V.Malashkevich, S.R.Wasserman, S.Swaminathan, S.Eswaramoorthy, R.Agarwal, D.Kumaran, M.Madegowda, S.Ragumani, Y.Patskovsky, J.Alvarado, U.A.Ramagopal, J.Faber-Barata, M.R.Chance, A.Sali, A.Fiser, Z.Y.Zhang, D.S.Lawrence, S.K.Burley. Structural Genomics of Protein Phosphatases. J.Struct.Funct.Genom. V. 8 121 2007.
ISSN: ISSN 1345-711X
PubMed: 18058037
DOI: 10.1007/S10969-007-9036-1