Manganese in the structure of Structural Basis of Carbohydrate Recognition By Bowringia Milbraedii Seed Agglutinin (pdb 2fmd)

The binding sites of Manganese atom in the structure of Structural Basis of Carbohydrate Recognition By Bowringia Milbraedii Seed Agglutinin (pdb code 2fmd). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2fmd structure was solved by L.BUTS, A.GARCIA-PINO, L.WYNS, R.LORIS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-1.9 Space group I222 a (A) 66.603 b (A) 86.351 c (A) 91.760 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.3 Rfree (%) 22.8 Manganese Binding Sites: Manganese binding site 1 out of 1 in 2fmd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2fmd. 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: Glu127, A: Asp129, A: Asp138, A: His143, A: Ile151, A: Ser153, A: Ca301, A: Hoh385, A: Hoh423, A: Hoh424, A: Hoh426, conact list: Atom Atom Distance (A) Mn OE1 A:Glu127 3.50 Mn OE2 A:Glu127 2.26 Mn CD A:Glu127 3.23 Mn CG A:Glu127 4.59 Mn CB A:Asp129 3.59 Mn OD2 A:Asp129 2.28 Mn OD1 A:Asp129 4.26 Mn CG A:Asp129 3.21 Mn CB A:Asp138 4.25 Mn OD2 A:Asp138 3.26 Mn OD1 A:Asp138 2.34 Mn CG A:Asp138 3.02 Mn CA A:Asp138 4.62 Mn NE2 A:His143 2.48 Mn ND1 A:His143 4.48 Mn CD2 A:His143 3.52 Mn CE1 A:His143 3.32 Mn CG A:His143 4.61 Mn O A:Ile151 4.72 Mn OG A:Ser153 4.41 Mn CA A:Ca301 4.11 Mn O A:Hoh385 3.84 Mn O A:Hoh423 2.29 Mn O A:Hoh424 2.29 Mn O A:Hoh426 3.80 interactive model: