Manganese in PDB 3k7w: Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-2

All present enzymatic activity of Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-2:
3.1.3.16;

The structure of Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-2, PDB code: 3k7w was solved by P.D.Jeffrey, J.Huhn, Y.Shi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.81 / 2.96
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	93.410, 197.240, 201.650, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 26.3

The binding sites of Manganese atom in the Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-2 (pdb code 3k7w). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-2, PDB code: 3k7w:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn501 b:41.4 occ:1.00 OD1 C:ASN117 2.0 47.2 1.0 ND1 C:HIS241 2.1 52.1 1.0 NE2 C:HIS167 2.1 43.5 1.0 OD2 C:ASP85 2.8 50.7 1.0 CE1 C:HIS167 2.9 43.4 1.0 CE1 C:HIS241 2.9 55.8 1.0 CG C:ASN117 3.0 50.4 1.0 MN C:MN502 3.0 59.5 1.0 CG C:HIS241 3.2 52.1 1.0 CD2 C:HIS167 3.3 46.9 1.0 OD1 C:ASP85 3.3 42.9 1.0 CG C:ASP85 3.3 45.8 1.0 ND2 C:ASN117 3.4 46.3 1.0 CA C:HIS241 3.5 47.6 1.0 O C:HOH312 3.5 27.3 1.0 CB C:HIS241 3.7 49.9 1.0 O C:HIS241 3.7 48.3 1.0 OD2 C:ASP57 4.0 46.5 1.0 NE2 C:HIS241 4.0 51.6 1.0 C C:HIS241 4.1 48.2 1.0 ND1 C:HIS167 4.1 42.2 1.0 CD2 C:HIS241 4.2 51.0 1.0 CD2 C:HIS118 4.2 38.6 1.0 CB C:ASN117 4.3 48.5 1.0 CG C:HIS167 4.3 46.3 1.0 N C:ASN117 4.5 46.0 1.0 N C:HIS241 4.5 46.2 1.0 CB C:ASP85 4.7 45.9 1.0 NE2 C:HIS118 4.8 38.1 1.0 CG C:ASP57 4.8 48.4 1.0 OD1 C:ASP57 4.8 52.5 1.0 O C:LEU199 5.0 52.5 1.0 CA C:ASN117 5.0 46.5 1.0

Manganese binding site 2 out of 2 in the Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn502 b:59.5 occ:1.00 OD2 C:ASP85 2.0 50.7 1.0 OD2 C:ASP57 2.2 46.5 1.0 NE2 C:HIS59 2.3 52.4 1.0 MN C:MN501 3.0 41.4 1.0 CE1 C:HIS59 3.2 50.2 1.0 CG C:ASP85 3.2 45.8 1.0 CG C:ASP57 3.4 48.4 1.0 CD2 C:HIS59 3.4 47.5 1.0 O C:HOH312 3.6 27.3 1.0 CB C:ASP85 4.0 45.9 1.0 O C:HIS241 4.1 48.3 1.0 OD1 C:ASP85 4.1 42.9 1.0 CD2 C:HIS118 4.1 38.6 1.0 OH C:TYR265 4.2 47.3 1.0 OD1 C:ASP57 4.2 52.5 1.0 NE2 C:HIS118 4.3 38.1 1.0 CB C:ASP57 4.4 48.1 1.0 ND1 C:HIS59 4.4 46.7 1.0 CE1 C:HIS167 4.4 43.4 1.0 OD1 C:ASN117 4.4 47.2 1.0 CE1 C:PHE260 4.4 45.3 1.0 NE2 C:HIS167 4.5 43.5 1.0 CG C:HIS59 4.5 47.8 1.0 CA C:HIS241 4.5 47.6 1.0 C C:HIS241 4.6 48.2 1.0 ND1 C:HIS241 4.8 52.1 1.0 CZ C:TYR265 4.8 48.1 1.0 CZ C:PHE260 4.9 44.8 1.0

J.Huhn, P.D.Jeffrey, K.Larsen, T.Rundberget, F.Rise, N.R.Cox, V.Arcus, Y.Shi, C.O.Miles. A Structural Basis For the Reduced Toxicity of Dinophysistoxin-2. Chem.Res.Toxicol. V. 22 1782 2009.
ISSN: ISSN 0893-228X
PubMed: 19916524
DOI: 10.1021/TX9001622