Manganese in the structure of X-Ray Structure of E Coli Alkb Bound to Dsdna Containing 1MEA/T With Mn and 2KG (pdb 3bie)

The binding sites of Manganese atom in the structure of X-Ray Structure of E Coli Alkb Bound to Dsdna Containing 1MEA/T With Mn and 2KG (pdb code 3bie). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3bie structure was solved by C.YI, C.-G.YANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.7 Space group P1211 a (A) 41.413 b (A) 75.822 c (A) 52.228 alpha (°) 90.00 beta (°) 108.53 gamma (°) 90.00 Rfactor (%) 18.7 Rfree (%) 21.1 Manganese Binding Sites: Manganese binding site 1 out of 1 in 3bie Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3bie. 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: His131, A: Asp133, A: Trp178, A: His187, A: Arg210, B: Ma78, A: Akg503, A: Hoh526, A: Hoh530, conact list: Atom Atom Distance (A) Mn NE2 A:His131 2.18 Mn ND1 A:His131 4.20 Mn CD2 A:His131 3.15 Mn CE1 A:His131 3.10 Mn CG A:His131 4.26 Mn N A:Asp133 4.81 Mn CB A:Asp133 4.44 Mn OD2 A:Asp133 3.38 Mn OD1 A:Asp133 2.18 Mn CG A:Asp133 3.10 Mn CA A:Asp133 4.94 Mn CZ2 A:Trp178 4.70 Mn NE2 A:His187 2.17 Mn ND1 A:His187 4.24 Mn CD2 A:His187 3.13 Mn CE1 A:His187 3.14 Mn CG A:His187 4.27 Mn NH2 A:Arg210 4.13 Mn C2 B:Ma78 4.58 Mn C6 B:Ma78 4.79 Mn CN B:Ma78 4.61 Mn N1 B:Ma78 4.43 Mn O5 A:Akg503 2.42 Mn O2 A:Akg503 2.14 Mn C1 A:Akg503 2.96 Mn O1 A:Akg503 4.15 Mn C3 A:Akg503 4.55 Mn C2 A:Akg503 3.07 Mn O A:Hoh526 4.36 Mn O A:Hoh530 2.41 interactive model: