Manganese in the structure of Crystal Structure Determination and Refinement At 2.3 Angstroms Resolution of the Lentil Lectin (pdb 2lal)

The binding sites of Manganese atom in the structure of Crystal Structure Determination and Refinement At 2.3 Angstroms Resolution of the Lentil Lectin (pdb code 2lal). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2lal structure was solved by R.LORIS, J.STEYAERT, D.MAES, J.LISGARTEN, R.PICKERSGILL, L.WYNS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 1.8 Space group P212121 a (A) 75.810 b (A) 125.470 c (A) 56.500 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Manganese Binding Sites: Manganese binding site 1 out of 2 in 2lal Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2lal. 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: Glu119, A: Asp121, A: Trp128, A: Asp129, A: Pro130, A: His136, A: Ile144, A: Ser146, A: Ca184, A: Hoh191, A: Hoh231, A: Hoh232, A: Hoh243, conact list: Atom Atom Distance (A) Mn OE1 A:Glu119 3.56 Mn OE2 A:Glu119 2.37 Mn CD A:Glu119 3.42 Mn CG A:Glu119 4.76 Mn CB A:Asp121 3.65 Mn OD2 A:Asp121 2.40 Mn OD1 A:Asp121 4.41 Mn CG A:Asp121 3.34 Mn CD1 A:Trp128 4.55 Mn NE1 A:Trp128 4.72 Mn CB A:Asp129 4.50 Mn OD2 A:Asp129 3.78 Mn OD1 A:Asp129 2.36 Mn CG A:Asp129 3.36 Mn CA A:Asp129 4.61 Mn CD A:Pro130 4.61 Mn NE2 A:His136 2.37 Mn ND1 A:His136 4.39 Mn CD2 A:His136 3.53 Mn CE1 A:His136 3.15 Mn CG A:His136 4.58 Mn O A:Ile144 4.50 Mn OG A:Ser146 4.12 Mn CA A:Ca184 4.18 Mn O A:Hoh191 4.05 Mn O A:Hoh231 2.15 Mn O A:Hoh232 2.20 Mn O A:Hoh243 4.45 interactive model: Manganese binding site 2 out of 2 in 2lal Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2lal. 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: C: Glu119, C: Asp121, C: Trp128, C: Asp129, C: Pro130, C: His136, C: Ile144, C: Ser146, C: Ca184, C: Hoh220, C: Hoh224, C: Hoh225, C: Hoh233, conact list: Atom Atom Distance (A) Mn OE1 C:Glu119 3.46 Mn OE2 C:Glu119 2.31 Mn CD C:Glu119 3.31 Mn CG C:Glu119 4.69 Mn CB C:Asp121 3.70 Mn OD2 C:Asp121 2.14 Mn OD1 C:Asp121 4.25 Mn CG C:Asp121 3.27 Mn CD1 C:Trp128 4.68 Mn NE1 C:Trp128 4.80 Mn CB C:Asp129 4.54 Mn OD2 C:Asp129 3.81 Mn OD1 C:Asp129 2.39 Mn CG C:Asp129 3.38 Mn CA C:Asp129 4.72 Mn CD C:Pro130 4.54 Mn NE2 C:His136 2.38 Mn ND1 C:His136 4.33 Mn CD2 C:His136 3.62 Mn CE1 C:His136 3.05 Mn CG C:His136 4.60 Mn O C:Ile144 4.52 Mn OG C:Ser146 4.18 Mn CA C:Ca184 4.28 Mn O C:Hoh220 3.85 Mn O C:Hoh224 2.26 Mn O C:Hoh225 2.18 Mn O C:Hoh233 4.51 interactive model: