Manganese in the structure of The Crystal Structure of LMO2642 (pdb 2xmo)

The binding sites of Manganese atom in the structure of The Crystal Structure of LMO2642 (pdb code 2xmo). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2xmo structure was solved by J.H.JEONG, Y.G.KIM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.7 Space group P1211 a (A) 62.963 b (A) 103.267 c (A) 73.765 alpha (°) 90.00 beta (°) 102.80 gamma (°) 90.00 Rfactor (%) 21.18 Rfree (%) 24.25 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2xmo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2xmo. 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: Asp47, A: His49, A: Asp101, A: His135, A: His243, A: His281, A: His283, A: Fe556, A: Po41444, A: Hoh2284, A: Hoh2285, A: Hoh2287, conact list: Atom Atom Distance (A) Mn CB A:Asp47 3.76 Mn OD2 A:Asp47 2.26 Mn OD1 A:Asp47 4.29 Mn CG A:Asp47 3.26 Mn CA A:Asp47 4.60 Mn NE2 A:His49 2.21 Mn ND1 A:His49 4.17 Mn CD2 A:His49 3.36 Mn CE1 A:His49 2.97 Mn CG A:His49 4.39 Mn CB A:Asp101 3.68 Mn OD2 A:Asp101 2.29 Mn OD1 A:Asp101 4.43 Mn CG A:Asp101 3.31 Mn CD2 A:His135 4.60 Mn NE2 A:His243 4.46 Mn CE1 A:His243 4.40 Mn O A:His281 4.24 Mn ND1 A:His281 4.96 Mn C A:His281 4.89 Mn CA A:His281 4.71 Mn NE2 A:His283 2.25 Mn ND1 A:His283 4.29 Mn CD2 A:His283 3.32 Mn CE1 A:His283 3.12 Mn CG A:His283 4.41 Mn FE A:Fe556 3.30 Mn O1 A:Po41444 3.55 Mn O2 A:Po41444 2.20 Mn P A:Po41444 3.33 Mn O4 A:Po41444 3.88 Mn O3 A:Po41444 4.56 Mn O A:Hoh2284 2.11 Mn O A:Hoh2285 4.97 Mn O A:Hoh2287 4.18 interactive model: Manganese binding site 2 out of 2 in 2xmo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2xmo. 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: Asp47, B: His49, B: Asp101, B: His135, B: His243, B: His281, B: His283, B: Fe556, B: Po41444, B: Hoh2240, B: Hoh2242, conact list: Atom Atom Distance (A) Mn CB B:Asp47 3.79 Mn OD2 B:Asp47 2.14 Mn OD1 B:Asp47 4.23 Mn CG B:Asp47 3.22 Mn CA B:Asp47 4.61 Mn NE2 B:His49 2.24 Mn ND1 B:His49 4.15 Mn CD2 B:His49 3.43 Mn CE1 B:His49 2.92 Mn CG B:His49 4.42 Mn CB B:Asp101 3.71 Mn OD2 B:Asp101 2.30 Mn OD1 B:Asp101 4.45 Mn CG B:Asp101 3.33 Mn CD2 B:His135 4.52 Mn NE2 B:His243 4.46 Mn CE1 B:His243 4.36 Mn O B:His281 4.24 Mn ND1 B:His281 4.99 Mn C B:His281 4.89 Mn CA B:His281 4.76 Mn NE2 B:His283 2.26 Mn ND1 B:His283 4.28 Mn CD2 B:His283 3.31 Mn CE1 B:His283 3.12 Mn CG B:His283 4.40 Mn FE B:Fe556 3.26 Mn O1 B:Po41444 3.58 Mn O2 B:Po41444 4.61 Mn P B:Po41444 3.36 Mn O4 B:Po41444 2.25 Mn O3 B:Po41444 3.84 Mn O B:Hoh2240 2.12 Mn O B:Hoh2242 4.25 interactive model: