Manganese in the structure of Crystal Structure Cation-Dependent Mannose 6-Phosphate Receptor At pH 6.5 Bound to M6P (pdb 2rl8)

The binding sites of Manganese atom in the structure of Crystal Structure Cation-Dependent Mannose 6-Phosphate Receptor At pH 6.5 Bound to M6P (pdb code 2rl8). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2rl8 structure was solved by L.J.OLSON, O.HINDSGAUL, J.-J.P.KIM, N.M.DAHMS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.4 Space group P43212 a (A) 91.659 b (A) 91.659 c (A) 85.079 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.9 Rfree (%) 23.7 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2rl8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2rl8. 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: Glu101, A: Tyr102, A: Asp103, A: Arg111, A: M6d500, A: Hoh552, A: Hoh586, A: Hoh662, A: Hoh706, A: Hoh808, A: Hoh888, conact list: Atom Atom Distance (A) Mn O A:Glu101 4.67 Mn C A:Tyr102 4.74 Mn CA A:Tyr102 4.97 Mn N A:Asp103 3.95 Mn CB A:Asp103 3.53 Mn OD2 A:Asp103 2.24 Mn OD1 A:Asp103 4.35 Mn CG A:Asp103 3.22 Mn CA A:Asp103 4.39 Mn NH2 A:Arg111 4.46 Mn O5 A:M6d500 4.61 Mn C6 A:M6d500 4.78 Mn P A:M6d500 3.45 Mn O3P A:M6d500 2.25 Mn O1P A:M6d500 4.63 Mn O2P A:M6d500 3.68 Mn O6 A:M6d500 4.12 Mn O A:Hoh552 4.67 Mn O A:Hoh586 2.34 Mn O A:Hoh662 2.33 Mn O A:Hoh706 2.43 Mn O A:Hoh808 3.92 Mn O A:Hoh888 4.35 interactive model: Manganese binding site 2 out of 2 in 2rl8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2rl8. 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: Asp103, B: Arg111, B: M6d501, B: Hoh585, B: Hoh622, B: Hoh639, B: Hoh649, B: Hoh901, conact list: Atom Atom Distance (A) Mn N B:Asp103 4.27 Mn CB B:Asp103 3.62 Mn OD2 B:Asp103 2.24 Mn OD1 B:Asp103 4.39 Mn CG B:Asp103 3.26 Mn CA B:Asp103 4.59 Mn NH2 B:Arg111 4.53 Mn O5 B:M6d501 4.37 Mn C6 B:M6d501 4.74 Mn P B:M6d501 3.37 Mn O3P B:M6d501 2.21 Mn O1P B:M6d501 4.57 Mn O2P B:M6d501 3.56 Mn O6 B:M6d501 4.04 Mn O B:Hoh585 2.30 Mn O B:Hoh622 4.37 Mn O B:Hoh639 4.25 Mn O B:Hoh649 2.32 Mn O B:Hoh901 4.46 interactive model: