Manganese in the structure of Manganese;Manganese Concanavalin A At pH 5.0 (pdb 1dq5)

The binding sites of Manganese atom in the structure of Manganese;Manganese Concanavalin A At pH 5.0 (pdb code 1dq5). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1dq5 structure was solved by J.BOUCKAERT, Y.DEWALLEF, F.POORTMANS, L.WYNS, R.LORIS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.0 Space group I222 a (A) 63.230 b (A) 87.440 c (A) 89.270 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.9 Rfree (%) 21 Manganese Binding Sites: Manganese binding site 1 out of 2 in 1dq5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1dq5. 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: His24, A: Val32, A: Ser34, A: Mn302, A: Hoh306, A: Hoh319, A: Hoh361, A: Hoh376, conact list: Atom Atom Distance (A) Mn OE1 A:Glu8 3.46 Mn OE2 A:Glu8 2.34 Mn CD A:Glu8 3.20 Mn CG A:Glu8 4.56 Mn CB A:Asp10 3.53 Mn OD2 A:Asp10 2.23 Mn OD1 A:Asp10 4.34 Mn CG A:Asp10 3.24 Mn CB A:Asp19 4.52 Mn OD2 A:Asp19 3.79 Mn OD1 A:Asp19 2.47 Mn CG A:Asp19 3.38 Mn CA A:Asp19 4.64 Mn NE2 A:His24 2.27 Mn ND1 A:His24 4.41 Mn CD2 A:His24 3.18 Mn CE1 A:His24 3.34 Mn CG A:His24 4.39 Mn O A:Val32 4.55 Mn OG A:Ser34 4.19 Mn MN A:Mn302 4.34 Mn O A:Hoh306 1.99 Mn O A:Hoh319 2.30 Mn O A:Hoh361 4.25 Mn O A:Hoh376 4.02 interactive model: Manganese binding site 2 out of 2 in 1dq5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1dq5. 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: Asp10, A: Tyr12, A: Pro13, A: Asn14, A: Asp19, A: His24, A: Asp208, A: Arg228, A: Mn301, A: Hoh306, A: Hoh361, A: Hoh364, conact list: Atom Atom Distance (A) Mn CB A:Asp10 4.16 Mn OD2 A:Asp10 2.54 Mn C A:Asp10 4.96 Mn OD1 A:Asp10 2.26 Mn CG A:Asp10 2.66 Mn CA A:Asp10 4.84 Mn O A:Tyr12 2.23 Mn N A:Tyr12 4.15 Mn CB A:Tyr12 4.47 Mn C A:Tyr12 3.43 Mn CA A:Tyr12 4.21 Mn N A:Pro13 4.39 Mn C A:Pro13 4.68 Mn CA A:Pro13 4.57 Mn N A:Asn14 3.98 Mn CB A:Asn14 4.38 Mn ND2 A:Asn14 4.87 Mn OD1 A:Asn14 2.64 Mn CG A:Asn14 3.75 Mn CA A:Asn14 4.80 Mn CB A:Asp19 4.62 Mn OD2 A:Asp19 2.24 Mn OD1 A:Asp19 3.78 Mn CG A:Asp19 3.35 Mn NE2 A:His24 4.72 Mn CE1 A:His24 4.46 Mn O A:Asp208 4.59 Mn OD1 A:Asp208 4.60 Mn O A:Arg228 4.84 Mn CB A:Arg228 4.97 Mn MN A:Mn301 4.34 Mn O A:Hoh306 4.62 Mn O A:Hoh361 2.52 Mn O A:Hoh364 2.45 interactive model: