Manganese in the structure of Concanavalin A and Its Bound Solvent At 0.94A Resolution (pdb 1nls)

The binding sites of Manganese atom in the structure of Concanavalin A and Its Bound Solvent At 0.94A Resolution (pdb code 1nls). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1nls structure was solved by A.M.DEACON, T.GLEICHMANN, J.R.HELLIWELL, A.J.KALB(GILBOA), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-0.9 Space group I222 a (A) 89.550 b (A) 86.460 c (A) 62.110 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 12.7 Rfree (%) 15.4 Manganese Binding Sites: Manganese binding site 1 out of 1 in 1nls Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1nls. 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: Glu8, A: Asp10, A: Asp19, A: His24, A: Val32, A: Ser34, A: Ca240, A: Hoh266, A: Hoh411, A: Hoh412, A: Hoh413, conact list: Atom Atom Distance (A) Mn OE1 A:Glu8 3.56 Mn OE2 A:Glu8 2.17 Mn CD A:Glu8 3.21 Mn CG A:Glu8 4.55 Mn CB A:Asp10 3.60 Mn OD2 A:Asp10 2.15 Mn OD1 A:Asp10 4.28 Mn CG A:Asp10 3.19 Mn CB A:Asp19 4.25 Mn OD2 A:Asp19 3.59 Mn OD1 A:Asp19 2.19 Mn CG A:Asp19 3.12 Mn CA A:Asp19 4.62 Mn NE2 A:His24 2.23 Mn ND1 A:His24 4.38 Mn CD2 A:His24 3.27 Mn CE1 A:His24 3.22 Mn CG A:His24 4.45 Mn O A:Val32 4.64 Mn OG A:Ser34 4.13 Mn CA A:Ca240 4.20 Mn O A:Hoh266 4.32 Mn O A:Hoh411 3.99 Mn O A:Hoh412 2.26 Mn O A:Hoh413 2.18 interactive model: