Manganese in the structure of Wrn Exonuclease, Mn Dgmp Complex (pdb 2fc0)

The binding sites of Manganese atom in the structure of Wrn Exonuclease, Mn Dgmp Complex (pdb code 2fc0). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2fc0 structure was solved by J.J.PERRY, J.A.TAINER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 38.9-2.0 Space group P3221 a (A) 81.104 b (A) 81.104 c (A) 93.560 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 22.3 Rfree (%) 23.8 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2fc0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2fc0. 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: Asp82, A: Met83, A: Glu84, A: Gln101, A: Arg196, A: Asp216, A: Mn238, A: Hoh248, A: Hoh257, A: Hoh369, A: Hoh396, A: Hoh425, A: Hoh426, A: Hoh427, conact list: Atom Atom Distance (A) Mn CB A:Asp82 4.36 Mn OD2 A:Asp82 3.59 Mn OD1 A:Asp82 2.00 Mn CG A:Asp82 3.10 Mn O A:Met83 4.32 Mn OE1 A:Glu84 3.42 Mn OE2 A:Glu84 2.00 Mn CD A:Glu84 3.03 Mn CG A:Glu84 4.35 Mn NE2 A:Gln101 4.42 Mn NH2 A:Arg196 4.27 Mn CB A:Asp216 3.54 Mn OD2 A:Asp216 2.10 Mn OD1 A:Asp216 4.00 Mn CG A:Asp216 3.02 Mn MN A:Mn238 3.73 Mn O A:Hoh248 4.04 Mn O A:Hoh257 2.22 Mn O A:Hoh369 2.29 Mn O A:Hoh396 3.85 Mn O A:Hoh425 2.24 Mn O A:Hoh426 4.54 Mn O A:Hoh427 4.19 interactive model: Manganese binding site 2 out of 2 in 2fc0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2fc0. 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: Asp82, A: Met83, A: Glu84, A: Val138, A: Asp143, A: Mn237, A: Hoh248, A: Hoh257, A: Hoh260, A: Hoh272, A: Hoh308, A: Hoh369, A: Hoh374, A: Hoh424, A: Hoh425, A: Hoh427, conact list: Atom Atom Distance (A) Mn CB A:Asp82 4.52 Mn OD2 A:Asp82 2.19 Mn OD1 A:Asp82 3.43 Mn CG A:Asp82 3.16 Mn CA A:Asp82 4.87 Mn O A:Met83 3.87 Mn N A:Met83 4.53 Mn C A:Met83 5.00 Mn OE2 A:Glu84 4.86 Mn O A:Val138 4.59 Mn OD2 A:Asp143 4.42 Mn OD1 A:Asp143 4.44 Mn CG A:Asp143 4.88 Mn MN A:Mn237 3.73 Mn O A:Hoh248 3.02 Mn O A:Hoh257 3.49 Mn O A:Hoh260 4.77 Mn O A:Hoh272 4.40 Mn O A:Hoh308 4.78 Mn O A:Hoh369 4.96 Mn O A:Hoh374 2.46 Mn O A:Hoh424 2.32 Mn O A:Hoh425 2.34 Mn O A:Hoh427 2.27 interactive model: