Manganese in the structure of Pterocarpus Angolensis Lectin (Pal) in Complex With D- Mannose (Anomeric Mixture) (pdb 2are)

The binding sites of Manganese atom in the structure of Pterocarpus Angolensis Lectin (Pal) in Complex With D- Mannose (Anomeric Mixture) (pdb code 2are). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2are structure was solved by L.BUTS, A.GARCIA-PINO, A.IMBERTY, N.AMIOT, G.-J.BOONS, W.VERSEES, J.LAH, S.BEECKMANS, L.WYNS, R.LORIS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.8 Space group P212121 a (A) 56.731 b (A) 83.361 c (A) 122.938 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17 Rfree (%) 20.4 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2are Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2are. 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: Glu128, A: Asp130, A: Trp140, A: Asp141, A: Pro142, A: His146, A: Ile154, A: Ser156, A: Ca283, A: Hoh284, A: Hoh286, A: Hoh287, A: Hoh296, conact list: Atom Atom Distance (A) Mn OE1 A:Glu128 2.11 Mn OE2 A:Glu128 3.48 Mn CD A:Glu128 3.14 Mn CG A:Glu128 4.48 Mn CB A:Asp130 3.55 Mn OD2 A:Asp130 2.04 Mn OD1 A:Asp130 4.21 Mn CG A:Asp130 3.12 Mn CD1 A:Trp140 4.53 Mn NE1 A:Trp140 4.55 Mn CB A:Asp141 4.34 Mn OD2 A:Asp141 3.58 Mn OD1 A:Asp141 2.16 Mn CG A:Asp141 3.13 Mn CA A:Asp141 4.75 Mn CD A:Pro142 4.84 Mn NE2 A:His146 2.25 Mn ND1 A:His146 4.34 Mn CD2 A:His146 3.25 Mn CE1 A:His146 3.21 Mn CG A:His146 4.40 Mn O A:Ile154 4.54 Mn OG A:Ser156 4.35 Mn CA A:Ca283 4.15 Mn O A:Hoh284 3.83 Mn O A:Hoh286 2.24 Mn O A:Hoh287 1.94 Mn O A:Hoh296 4.66 interactive model: Manganese binding site 2 out of 2 in 2are Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2are. 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: Glu128, B: Asp130, B: Trp140, B: Asp141, B: Pro142, B: His146, B: Ile154, B: Ser156, B: Ca284, B: Hoh285, B: Hoh286, B: Hoh287, B: Hoh313, conact list: Atom Atom Distance (A) Mn OE1 B:Glu128 2.12 Mn OE2 B:Glu128 3.52 Mn CD B:Glu128 3.17 Mn CG B:Glu128 4.50 Mn CB B:Asp130 3.57 Mn OD2 B:Asp130 2.11 Mn OD1 B:Asp130 4.25 Mn CG B:Asp130 3.15 Mn CD1 B:Trp140 4.54 Mn NE1 B:Trp140 4.54 Mn CB B:Asp141 4.37 Mn OD2 B:Asp141 3.56 Mn OD1 B:Asp141 2.17 Mn CG B:Asp141 3.15 Mn CA B:Asp141 4.80 Mn CD B:Pro142 4.85 Mn NE2 B:His146 2.24 Mn ND1 B:His146 4.32 Mn CD2 B:His146 3.27 Mn CE1 B:His146 3.18 Mn CG B:His146 4.40 Mn O B:Ile154 4.58 Mn OG B:Ser156 4.29 Mn CA B:Ca284 4.18 Mn O B:Hoh285 2.19 Mn O B:Hoh286 2.10 Mn O B:Hoh287 3.85 Mn O B:Hoh313 4.53 interactive model: