Manganese in the structure of Pterocarpus Angolensis Lectin (Pal) in Complex With Man-5 (pdb 2phx)

The binding sites of Manganese atom in the structure of Pterocarpus Angolensis Lectin (Pal) in Complex With Man-5 (pdb code 2phx). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2phx structure was solved by A.GARCIA-PINO, L.BUTS, L.WYNS, A.IMBERTY, R.LORIS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-1.8 Space group P212121 a (A) 56.830 b (A) 83.570 c (A) 122.810 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.8 Rfree (%) 20.7 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2phx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2phx. 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: Ca302, A: Hoh303, A: Hoh305, A: Hoh306, A: Hoh321, conact list: Atom Atom Distance (A) Mn OE1 A:Glu128 2.13 Mn OE2 A:Glu128 3.50 Mn CD A:Glu128 3.16 Mn CG A:Glu128 4.50 Mn CB A:Asp130 3.55 Mn OD2 A:Asp130 2.03 Mn OD1 A:Asp130 4.19 Mn CG A:Asp130 3.10 Mn CD1 A:Trp140 4.51 Mn NE1 A:Trp140 4.54 Mn CB A:Asp141 4.36 Mn OD2 A:Asp141 3.59 Mn OD1 A:Asp141 2.20 Mn CG A:Asp141 3.15 Mn CA A:Asp141 4.78 Mn CD A:Pro142 4.89 Mn NE2 A:His146 2.27 Mn ND1 A:His146 4.36 Mn CD2 A:His146 3.27 Mn CE1 A:His146 3.23 Mn CG A:His146 4.42 Mn O A:Ile154 4.57 Mn OG A:Ser156 4.36 Mn CA A:Ca302 4.16 Mn O A:Hoh303 3.86 Mn O A:Hoh305 2.28 Mn O A:Hoh306 1.96 Mn O A:Hoh321 4.66 interactive model: Manganese binding site 2 out of 2 in 2phx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2phx. 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: Ca302, B: Hoh303, B: Hoh304, B: Hoh305, B: Hoh426, conact list: Atom Atom Distance (A) Mn OE1 B:Glu128 2.17 Mn OE2 B:Glu128 3.52 Mn CD B:Glu128 3.18 Mn CG B:Glu128 4.52 Mn CB B:Asp130 3.58 Mn OD2 B:Asp130 2.15 Mn OD1 B:Asp130 4.27 Mn CG B:Asp130 3.17 Mn CD1 B:Trp140 4.55 Mn NE1 B:Trp140 4.57 Mn CB B:Asp141 4.40 Mn OD2 B:Asp141 3.62 Mn OD1 B:Asp141 2.21 Mn CG B:Asp141 3.18 Mn CA B:Asp141 4.82 Mn CD B:Pro142 4.85 Mn NE2 B:His146 2.28 Mn ND1 B:His146 4.36 Mn CD2 B:His146 3.31 Mn CE1 B:His146 3.20 Mn CG B:His146 4.44 Mn O B:Ile154 4.57 Mn OG B:Ser156 4.29 Mn CA B:Ca302 4.18 Mn O B:Hoh303 2.24 Mn O B:Hoh304 2.20 Mn O B:Hoh305 3.85 Mn O B:Hoh426 4.50 interactive model: