Manganese in PDB 3k7v: Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-1

All present enzymatic activity of Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-1:
3.1.3.16;

The structure of Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-1, PDB code: 3k7v 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)	29.52 / 2.85
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.830, 194.780, 202.100, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 26.2

The binding sites of Manganese atom in the Protein Phosphatase 2A Core Complex Bound to Dinophysistoxin-1 (pdb code 3k7v). 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-1, PDB code: 3k7v:
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-1


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-1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn501 b:35.3 occ:1.00 OD1 C:ASN117 2.0 40.5 1.0 ND1 C:HIS241 2.1 44.2 1.0 NE2 C:HIS167 2.1 40.6 1.0 OD2 C:ASP85 2.8 42.0 1.0 CE1 C:HIS167 2.9 42.5 1.0 CG C:ASN117 3.0 43.0 1.0 CE1 C:HIS241 3.0 46.1 1.0 MN C:MN502 3.1 48.4 1.0 CG C:HIS241 3.2 43.2 1.0 OD1 C:ASP85 3.3 38.4 1.0 CD2 C:HIS167 3.3 43.5 1.0 CG C:ASP85 3.3 38.7 1.0 O C:HOH313 3.4 23.8 1.0 ND2 C:ASN117 3.4 40.4 1.0 CA C:HIS241 3.5 40.5 1.0 CB C:HIS241 3.6 42.2 1.0 O C:HIS241 3.8 43.4 1.0 OD2 C:ASP57 4.0 43.2 1.0 ND1 C:HIS167 4.1 41.2 1.0 NE2 C:HIS241 4.1 39.8 1.0 C C:HIS241 4.2 42.0 1.0 CB C:ASN117 4.2 42.3 1.0 CD2 C:HIS241 4.3 42.4 1.0 CD2 C:HIS118 4.3 32.6 1.0 CG C:HIS167 4.3 42.2 1.0 N C:ASN117 4.5 39.0 1.0 NH1 C:ARG214 4.5 41.5 1.0 N C:HIS241 4.5 39.7 1.0 CB C:ASP85 4.6 37.8 1.0 CG C:ASP57 4.8 44.9 1.0 NE2 C:HIS118 4.9 30.8 1.0 CA C:ASN117 4.9 38.9 1.0 O C:LEU199 4.9 42.4 1.0 OD1 C:ASP57 5.0 48.2 1.0

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


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-1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn502 b:48.4 occ:1.00 OD2 C:ASP85 2.0 42.0 1.0 OD2 C:ASP57 2.2 43.2 1.0 NE2 C:HIS59 2.3 44.9 1.0 MN C:MN501 3.1 35.3 1.0 CG C:ASP85 3.2 38.7 1.0 CE1 C:HIS59 3.2 40.2 1.0 CG C:ASP57 3.4 44.9 1.0 CD2 C:HIS59 3.4 38.5 1.0 O C:HOH313 3.7 23.8 1.0 O C:HIS241 4.0 43.4 1.0 CB C:ASP85 4.1 37.8 1.0 OH C:TYR265 4.1 42.4 1.0 OD1 C:ASP85 4.1 38.4 1.0 CD2 C:HIS118 4.2 32.6 1.0 CE1 C:PHE260 4.2 42.8 1.0 CB C:ASP57 4.2 44.3 1.0 OD1 C:ASP57 4.3 48.2 1.0 CE1 C:HIS167 4.3 42.5 1.0 ND1 C:HIS59 4.4 40.9 1.0 CA C:HIS241 4.4 40.5 1.0 NE2 C:HIS118 4.5 30.8 1.0 C C:HIS241 4.5 42.0 1.0 OD1 C:ASN117 4.5 40.5 1.0 NE2 C:HIS167 4.5 40.6 1.0 CG C:HIS59 4.5 41.9 1.0 CZ C:PHE260 4.6 37.9 1.0 ND1 C:HIS241 4.7 44.2 1.0 CZ C:TYR265 4.8 42.2 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