Manganese in the structure of Structure of Unphosphorylated Fixj-N Complexed With MN2+ (pdb 1dck)

The binding sites of Manganese atom in the structure of Structure of Unphosphorylated Fixj-N Complexed With MN2+ (pdb code 1dck). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1dck structure was solved by P.GOUET, B.FABRY, V.GUILLET, C.BIRCK, L.MOUREY, D.KAHN, J.P.SAMAMA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 14.4-2.0 Space group P1 a (A) 31.700 b (A) 42.500 c (A) 44.700 alpha (°) 93.20 beta (°) 103.00 gamma (°) 101.80 Rfactor (%) 20.6 Rfree (%) 25.3 Manganese Binding Sites: Manganese binding site 1 out of 3 in 1dck Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1dck. 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: Asp11, A: Glu12, A: Asp54, A: Arg56, A: Met57, A: Lys104, A: Hoh1003, A: Hoh1004, conact list: Atom Atom Distance (A) Mn OD1 A:Asp10 4.28 Mn CB A:Asp11 4.70 Mn OD2 A:Asp11 3.81 Mn OD1 A:Asp11 2.41 Mn CG A:Asp11 3.43 Mn OE1 A:Glu12 4.36 Mn CD A:Glu12 4.97 Mn CG A:Glu12 4.64 Mn CB A:Asp54 4.51 Mn OD2 A:Asp54 3.85 Mn OD1 A:Asp54 2.53 Mn CG A:Asp54 3.40 Mn O A:Arg56 2.37 Mn N A:Arg56 4.61 Mn C A:Arg56 3.52 Mn CB A:Arg56 4.26 Mn CA A:Arg56 4.31 Mn N A:Met57 4.50 Mn CG A:Met57 4.52 Mn CA A:Met57 4.68 Mn NZ A:Lys104 4.47 Mn O A:Hoh1003 2.52 Mn O A:Hoh1004 2.66 interactive model: Manganese binding site 2 out of 3 in 1dck Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1dck. 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: Asp10, B: Asp11, B: Glu12, B: Asp54, B: Arg56, B: Met57, B: Hoh1004, B: Hoh1005, B: Hoh1006, B: Hoh1007, B: Hoh1034, conact list: Atom Atom Distance (A) Mn OD2 B:Asp10 3.87 Mn CG B:Asp10 4.89 Mn N B:Asp11 4.80 Mn CB B:Asp11 4.68 Mn OD2 B:Asp11 3.47 Mn OD1 B:Asp11 2.37 Mn CG B:Asp11 3.28 Mn OE1 B:Glu12 3.69 Mn CD B:Glu12 4.31 Mn CG B:Glu12 4.59 Mn CB B:Asp54 4.33 Mn OD2 B:Asp54 2.39 Mn OD1 B:Asp54 3.54 Mn CG B:Asp54 3.17 Mn O B:Arg56 2.34 Mn N B:Arg56 4.57 Mn CB B:Arg56 4.37 Mn C B:Arg56 3.50 Mn CA B:Arg56 4.32 Mn N B:Met57 4.48 Mn CG B:Met57 4.33 Mn CA B:Met57 4.68 Mn O B:Hoh1004 2.35 Mn O B:Hoh1005 2.36 Mn O B:Hoh1006 2.38 Mn O B:Hoh1007 4.54 Mn O B:Hoh1034 4.71 interactive model: Manganese binding site 3 out of 3 in 1dck Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Manganese in the PDB 1dck. 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: His84, conact list: Atom Atom Distance (A) Mn NE2 B:His84 2.39 Mn ND1 B:His84 4.38 Mn CD2 B:His84 3.51 Mn CE1 B:His84 3.17 Mn CG B:His84 4.57 interactive model: