Manganese in the structure of Crystal Structure of Erythrina Corallodendron Lectin in Hexagonal Crystal Form (pdb 1fyu)

The binding sites of Manganese atom in the structure of Crystal Structure of Erythrina Corallodendron Lectin in Hexagonal Crystal Form (pdb code 1fyu). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1fyu structure was solved by S.ELGAVISH, B.SHAANAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 39.2-2.6 Space group P65 a (A) 135.850 b (A) 135.850 c (A) 82.630 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 17.3 Rfree (%) 20.2 Manganese Binding Sites: Manganese binding site 1 out of 2 in 1fyu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1fyu. 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: Trp135, A: Asp136, A: Pro137, A: His142, A: Ile150, A: Ser152, A: Ca290, A: Hoh424, A: Hoh433, A: Hoh454, A: Hoh482, conact list: Atom Atom Distance (A) Mn OE1 A:Glu127 2.17 Mn OE2 A:Glu127 3.71 Mn CD A:Glu127 3.25 Mn CG A:Glu127 4.48 Mn CB A:Asp129 3.43 Mn OD2 A:Asp129 2.24 Mn OD1 A:Asp129 4.27 Mn CG A:Asp129 3.15 Mn CA A:Asp129 4.94 Mn CD1 A:Trp135 4.94 Mn NE1 A:Trp135 4.88 Mn CB A:Asp136 4.26 Mn OD2 A:Asp136 3.71 Mn OD1 A:Asp136 2.06 Mn CG A:Asp136 3.14 Mn CA A:Asp136 4.81 Mn CD A:Pro137 4.80 Mn NE2 A:His142 2.31 Mn ND1 A:His142 4.29 Mn CD2 A:His142 3.45 Mn CE1 A:His142 3.08 Mn CG A:His142 4.50 Mn O A:Ile150 4.54 Mn OG A:Ser152 4.23 Mn CA A:Ca290 4.20 Mn O A:Hoh424 4.10 Mn O A:Hoh433 4.33 Mn O A:Hoh454 2.13 Mn O A:Hoh482 2.26 interactive model: Manganese binding site 2 out of 2 in 1fyu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1fyu. 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: Glu127, B: Asp129, B: Trp135, B: Asp136, B: Pro137, B: His142, B: Ile150, B: Ser152, B: Ca290, B: Hoh411, B: Hoh414, B: Hoh421, B: Hoh463, conact list: Atom Atom Distance (A) Mn OE1 B:Glu127 2.16 Mn OE2 B:Glu127 3.58 Mn CD B:Glu127 3.18 Mn CG B:Glu127 4.45 Mn CB B:Asp129 3.42 Mn OD2 B:Asp129 2.34 Mn OD1 B:Asp129 4.33 Mn CG B:Asp129 3.21 Mn CA B:Asp129 4.94 Mn CD1 B:Trp135 4.95 Mn NE1 B:Trp135 4.76 Mn CB B:Asp136 4.22 Mn OD2 B:Asp136 3.57 Mn OD1 B:Asp136 2.10 Mn CG B:Asp136 3.08 Mn CA B:Asp136 4.79 Mn CD B:Pro137 4.74 Mn NE2 B:His142 2.35 Mn ND1 B:His142 4.29 Mn CD2 B:His142 3.50 Mn CE1 B:His142 3.08 Mn CG B:His142 4.52 Mn O B:Ile150 4.62 Mn OG B:Ser152 4.22 Mn CA B:Ca290 4.19 Mn O B:Hoh411 2.52 Mn O B:Hoh414 3.97 Mn O B:Hoh421 4.45 Mn O B:Hoh463 2.04 interactive model: