Manganese in the structure of Structural Basis of PP2A and Sgo Interaction (pdb 3fga)

The binding sites of Manganese atom in the structure of Structural Basis of PP2A and Sgo Interaction (pdb code 3fga). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3fga structure was solved by Z.XU, W.XU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 49.0-2.7 Space group C2221 a (A) 104.940 b (A) 145.856 c (A) 294.153 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.8 Rfree (%) 27.7 Manganese Binding Sites: Manganese binding site 1 out of 2 in 3fga Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3fga. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Asp57, C: His59, C: Asp85, C: Asn117, C: His118, C: His167, C: His241, C: Phe260, C: Tyr265, E: Fga6, C: Mn312, C: Hoh355, conact list: Atom Atom Distance (A) Mn CB C:Asp57 3.96 Mn OD2 C:Asp57 4.07 Mn OD1 C:Asp57 2.24 Mn CG C:Asp57 3.23 Mn NE2 C:His59 2.25 Mn ND1 C:His59 4.27 Mn CD2 C:His59 3.30 Mn CE1 C:His59 3.11 Mn CG C:His59 4.39 Mn CB C:Asp85 4.13 Mn OD2 C:Asp85 4.41 Mn OD1 C:Asp85 2.33 Mn CG C:Asp85 3.47 Mn ND2 C:Asn117 4.73 Mn NE2 C:His118 4.01 Mn CD2 C:His118 4.12 Mn CE1 C:His118 4.82 Mn CG C:His118 4.99 Mn NE2 C:His167 4.68 Mn CE1 C:His167 4.54 Mn O C:His241 3.91 Mn ND1 C:His241 4.98 Mn C C:His241 4.69 Mn CE2 C:Phe260 4.34 Mn CZ C:Phe260 4.76 Mn CZ C:Tyr265 4.58 Mn OH C:Tyr265 3.81 Mn O E:Fga6 3.71 Mn C E:Fga6 4.74 Mn MN C:Mn312 3.26 Mn O C:Hoh355 3.74 interactive model: Manganese binding site 2 out of 2 in 3fga Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3fga. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Asp57, C: Asp85, C: Asn117, C: His118, C: His167, C: Leu199, C: Arg214, C: His241, C: Mn311, C: Hoh355, conact list: Atom Atom Distance (A) Mn OD2 C:Asp57 4.63 Mn OD1 C:Asp57 3.92 Mn CG C:Asp57 4.65 Mn CB C:Asp85 4.68 Mn OD2 C:Asp85 3.66 Mn OD1 C:Asp85 2.52 Mn CG C:Asp85 3.40 Mn N C:Asn117 4.71 Mn CB C:Asn117 4.41 Mn ND2 C:Asn117 2.06 Mn OD1 C:Asn117 3.41 Mn CG C:Asn117 3.09 Mn NE2 C:His118 4.48 Mn CD2 C:His118 4.05 Mn NE2 C:His167 2.10 Mn ND1 C:His167 4.06 Mn CD2 C:His167 3.26 Mn CE1 C:His167 2.86 Mn CG C:His167 4.28 Mn O C:Leu199 4.90 Mn NH2 C:Arg214 4.79 Mn O C:His241 3.41 Mn NE2 C:His241 4.18 Mn CB C:His241 3.21 Mn ND1 C:His241 2.09 Mn CD2 C:His241 4.13 Mn C C:His241 4.03 Mn CE1 C:His241 3.13 Mn CG C:His241 2.97 Mn CA C:His241 3.79 Mn MN C:Mn311 3.26 Mn O C:Hoh355 2.96 interactive model: