Manganese in the structure of Rat PP1C Gamma Complexed With Mouse Inhibitor-2 (pdb 2o8g)

The binding sites of Manganese atom in the structure of Rat PP1C Gamma Complexed With Mouse Inhibitor-2 (pdb code 2o8g). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2o8g structure was solved by T.D.HURLEY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 48.8-2.5 Space group P212121 a (A) 96.267 b (A) 103.234 c (A) 149.992 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) 23.5 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2o8g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2o8g. 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: A: Asp64, A: Asp92, A: Asn124, A: His125, A: His173, A: Leu205, A: His248, A: Hoh325, A: Hoh360, I: Hoh208, conact list: Atom Atom Distance (A) Mn OD2 A:Asp64 3.95 Mn OD1 A:Asp64 4.95 Mn CG A:Asp64 4.86 Mn CB A:Asp92 4.47 Mn OD2 A:Asp92 3.25 Mn OD1 A:Asp92 2.35 Mn CG A:Asp92 3.14 Mn N A:Asn124 4.27 Mn CB A:Asn124 4.38 Mn ND2 A:Asn124 3.93 Mn OD1 A:Asn124 2.17 Mn CG A:Asn124 3.26 Mn CA A:Asn124 4.82 Mn CD2 A:His125 4.33 Mn NE2 A:His173 2.25 Mn ND1 A:His173 4.35 Mn CD2 A:His173 3.22 Mn CE1 A:His173 3.23 Mn CG A:His173 4.37 Mn O A:Leu205 4.71 Mn O A:His248 4.05 Mn NE2 A:His248 4.51 Mn N A:His248 4.60 Mn CB A:His248 4.01 Mn ND1 A:His248 2.52 Mn CD2 A:His248 4.68 Mn C A:His248 4.37 Mn CE1 A:His248 3.31 Mn CG A:His248 3.62 Mn CA A:His248 3.68 Mn O A:Hoh325 4.48 Mn O A:Hoh360 2.40 Mn O I:Hoh208 3.67 interactive model: Manganese binding site 2 out of 2 in 2o8g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2o8g. 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: B: Asp64, B: Asp92, B: Asn124, B: His125, B: His173, B: Leu205, B: His248, B: Hoh325, B: Hoh367, J: Hoh210, conact list: Atom Atom Distance (A) Mn OD2 B:Asp64 3.94 Mn OD1 B:Asp64 4.84 Mn CG B:Asp64 4.83 Mn CB B:Asp92 4.59 Mn OD2 B:Asp92 3.43 Mn OD1 B:Asp92 2.37 Mn CG B:Asp92 3.27 Mn N B:Asn124 4.34 Mn CB B:Asn124 4.46 Mn ND2 B:Asn124 3.87 Mn OD1 B:Asn124 2.28 Mn CG B:Asn124 3.30 Mn CA B:Asn124 4.92 Mn CD2 B:His125 4.35 Mn NE2 B:His173 2.30 Mn ND1 B:His173 4.41 Mn CD2 B:His173 3.22 Mn CE1 B:His173 3.31 Mn CG B:His173 4.40 Mn O B:Leu205 4.70 Mn O B:His248 3.86 Mn NE2 B:His248 4.38 Mn N B:His248 4.59 Mn CB B:His248 3.91 Mn ND1 B:His248 2.40 Mn CD2 B:His248 4.55 Mn C B:His248 4.22 Mn CE1 B:His248 3.19 Mn CG B:His248 3.50 Mn CA B:His248 3.59 Mn O B:Hoh325 4.42 Mn O B:Hoh367 2.38 Mn O J:Hoh210 3.58 interactive model: