Manganese in the structure of Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand (pdb 1qgl)

The binding sites of Manganese atom in the structure of Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand (pdb code 1qgl). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1qgl structure was solved by J.H.NAISMITH, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 26.0-2.7 Space group C2221 a (A) 99.100 b (A) 127.400 c (A) 118.900 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.6 Rfree (%) 20 Manganese Binding Sites: Manganese binding site 1 out of 2 in 1qgl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1qgl. 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: Glu8, A: Asp10, A: Asp19, A: Pro20, A: His24, A: Val32, A: Ser34, A: Ca240, A: Hoh242, A: Hoh244, A: Hoh245, conact list: Atom Atom Distance (A) Mn OE1 A:Glu8 3.71 Mn OE2 A:Glu8 2.18 Mn CD A:Glu8 3.28 Mn CG A:Glu8 4.56 Mn CB A:Asp10 3.54 Mn OD2 A:Asp10 2.21 Mn OD1 A:Asp10 4.34 Mn CG A:Asp10 3.21 Mn CB A:Asp19 4.36 Mn OD2 A:Asp19 3.55 Mn OD1 A:Asp19 2.24 Mn CG A:Asp19 3.16 Mn CA A:Asp19 4.70 Mn CD A:Pro20 4.98 Mn NE2 A:His24 2.23 Mn ND1 A:His24 4.26 Mn CD2 A:His24 3.25 Mn CE1 A:His24 3.12 Mn CG A:His24 4.36 Mn O A:Val32 4.63 Mn OG A:Ser34 4.13 Mn CA A:Ca240 4.26 Mn O A:Hoh242 3.89 Mn O A:Hoh244 2.38 Mn O A:Hoh245 2.17 interactive model: Manganese binding site 2 out of 2 in 1qgl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1qgl. 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: Glu8, B: Asp10, B: Asp19, B: Pro20, B: His24, B: Val32, B: Ser34, B: Ca240, B: Hoh243, B: Hoh245, B: Hoh246, conact list: Atom Atom Distance (A) Mn OE1 B:Glu8 3.69 Mn OE2 B:Glu8 2.21 Mn CD B:Glu8 3.29 Mn CG B:Glu8 4.58 Mn CB B:Asp10 3.50 Mn OD2 B:Asp10 2.28 Mn OD1 B:Asp10 4.32 Mn CG B:Asp10 3.20 Mn CB B:Asp19 4.26 Mn OD2 B:Asp19 3.50 Mn OD1 B:Asp19 2.23 Mn CG B:Asp19 3.09 Mn CA B:Asp19 4.64 Mn CD B:Pro20 4.99 Mn NE2 B:His24 2.19 Mn ND1 B:His24 4.20 Mn CD2 B:His24 3.27 Mn CE1 B:His24 3.04 Mn CG B:His24 4.35 Mn O B:Val32 4.70 Mn OG B:Ser34 4.22 Mn CA B:Ca240 4.20 Mn O B:Hoh243 3.80 Mn O B:Hoh245 2.18 Mn O B:Hoh246 2.16 interactive model: