Manganese in the structure of Interaction Of A Legume Lectin With The N2 Fragment Of Human Lactotransferrin Or With The Isolated Biantennary Glycopeptide: Role of the Fucose Moiety (pdb 1lgc)

The binding sites of Manganese atom in the structure of Interaction Of A Legume Lectin With The N2 Fragment Of Human Lactotransferrin Or With The Isolated Biantennary Glycopeptide: Role of the Fucose Moiety (pdb code 1lgc). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1lgc structure was solved by Y.BOURNE, C.CAMBILLAU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 6.0-2.8 Space group P43212 a (A) 117.000 b (A) 117.000 c (A) 120.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.5 Rfree (%) n/a Manganese Binding Sites: Manganese binding site 1 out of 3 in 1lgc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1lgc. 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: His136, A: Asp140, A: Ile144, A: Ser146, A: Hoh329, A: Hoh374, conact list: Atom Atom Distance (A) Mn OE1 A:Glu119 2.93 Mn OE2 A:Glu119 2.23 Mn CD A:Glu119 2.93 Mn CG A:Glu119 4.40 Mn CB A:Asp121 3.74 Mn OD2 A:Asp121 2.83 Mn OD1 A:Asp121 4.89 Mn CG A:Asp121 3.71 Mn CD1 A:Trp128 4.70 Mn NE1 A:Trp128 4.64 Mn CB A:Asp129 4.89 Mn OD2 A:Asp129 4.08 Mn OD1 A:Asp129 2.51 Mn CG A:Asp129 3.63 Mn NE2 A:His136 3.13 Mn CD2 A:His136 4.00 Mn CE1 A:His136 4.03 Mn OD1 A:Asp140 4.91 Mn O A:Ile144 3.99 Mn CD1 A:Ile144 4.21 Mn CB A:Ser146 4.99 Mn OG A:Ser146 3.71 Mn O A:Hoh329 4.21 Mn O A:Hoh374 4.27 interactive model: Manganese binding site 2 out of 3 in 1lgc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1lgc. 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: His136, C: Ile144, C: Ser146, conact list: Atom Atom Distance (A) Mn OE1 C:Glu119 4.00 Mn OE2 C:Glu119 2.96 Mn CD C:Glu119 3.67 Mn CG C:Glu119 4.76 Mn CB C:Asp121 4.04 Mn OD2 C:Asp121 3.37 Mn CG C:Asp121 4.16 Mn CD1 C:Trp128 4.72 Mn O C:Trp128 4.56 Mn CB C:Asp129 4.72 Mn OD2 C:Asp129 4.24 Mn OD1 C:Asp129 2.40 Mn CG C:Asp129 3.61 Mn CA C:Asp129 4.78 Mn NE2 C:His136 3.11 Mn CD2 C:His136 3.97 Mn CE1 C:His136 4.00 Mn O C:Ile144 3.90 Mn N C:Ser146 4.61 Mn CB C:Ser146 4.20 Mn OG C:Ser146 2.91 interactive model: Manganese binding site 3 out of 3 in 1lgc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Manganese in the PDB 1lgc. 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: E: Glu119, E: Asp121, E: Trp128, E: Asp129, E: Pro130, E: His136, E: Ile144, E: Ser146, E: Hoh324, conact list: Atom Atom Distance (A) Mn OE1 E:Glu119 3.21 Mn OE2 E:Glu119 2.27 Mn CD E:Glu119 3.08 Mn CG E:Glu119 4.49 Mn CB E:Asp121 3.37 Mn OD2 E:Asp121 2.75 Mn OD1 E:Asp121 4.69 Mn CG E:Asp121 3.47 Mn CA E:Asp121 4.86 Mn CD1 E:Trp128 4.82 Mn NE1 E:Trp128 4.89 Mn CB E:Asp129 4.86 Mn OD2 E:Asp129 3.92 Mn OD1 E:Asp129 2.50 Mn CG E:Asp129 3.56 Mn CD E:Pro130 4.91 Mn NE2 E:His136 2.79 Mn ND1 E:His136 4.64 Mn CD2 E:His136 3.91 Mn CE1 E:His136 3.43 Mn CG E:His136 4.90 Mn O E:Ile144 4.18 Mn OG E:Ser146 4.48 Mn O E:Hoh324 2.05 interactive model: