Manganese in the structure of Crystal Structure of E.Coli Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase (pdb 1hx3)

The binding sites of Manganese atom in the structure of Crystal Structure of E.Coli Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase (pdb code 1hx3). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1hx3 structure was solved by V.DURBECQ, G.SAINZ, Y.OUDJAMA, B.CLANTIN, C.BOMPARD-GILLES, C.TRICOT, J.CAILLET, V.STALON, L.DROOGMANS, V.VILLERET, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.1 Space group P212121 a (A) 69.303 b (A) 72.621 c (A) 92.461 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.5 Rfree (%) 24.9 Manganese Binding Sites: Manganese binding site 1 out of 2 in 1hx3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1hx3. 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: Val6, A: His25, A: His32, A: Ala34, A: His69, A: Glu114, A: Glu116, A: Imd202, A: Hoh222, conact list: Atom Atom Distance (A) Mn CG1 A:Val6 4.98 Mn NE2 A:His25 2.17 Mn ND1 A:His25 4.28 Mn CD2 A:His25 3.10 Mn CE1 A:His25 3.19 Mn CG A:His25 4.27 Mn NE2 A:His32 2.15 Mn ND1 A:His32 4.24 Mn CD2 A:His32 3.13 Mn CE1 A:His32 3.12 Mn CG A:His32 4.28 Mn CB A:Ala34 4.93 Mn NE2 A:His69 2.19 Mn ND1 A:His69 4.33 Mn CD2 A:His69 2.95 Mn CE1 A:His69 3.32 Mn CG A:His69 4.19 Mn OE1 A:Glu114 2.53 Mn OE2 A:Glu114 2.41 Mn CD A:Glu114 2.81 Mn CG A:Glu114 4.33 Mn OE1 A:Glu116 3.64 Mn OE2 A:Glu116 2.18 Mn CD A:Glu116 2.89 Mn CG A:Glu116 3.61 Mn N1 A:Imd202 4.51 Mn N3 A:Imd202 4.46 Mn C2 A:Imd202 3.91 Mn O A:Hoh222 3.79 interactive model: Manganese binding site 2 out of 2 in 1hx3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1hx3. 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: Val6, B: His25, B: His32, B: His69, B: Glu114, B: Glu116, B: Imd203, B: Hoh264, conact list: Atom Atom Distance (A) Mn CG1 B:Val6 4.97 Mn NE2 B:His25 2.22 Mn ND1 B:His25 4.33 Mn CD2 B:His25 3.08 Mn CE1 B:His25 3.28 Mn CG B:His25 4.27 Mn NE2 B:His32 2.14 Mn ND1 B:His32 4.25 Mn CD2 B:His32 3.08 Mn CE1 B:His32 3.15 Mn CG B:His32 4.25 Mn NE2 B:His69 2.18 Mn ND1 B:His69 4.32 Mn CD2 B:His69 2.96 Mn CE1 B:His69 3.30 Mn CG B:His69 4.19 Mn OE1 B:Glu114 2.72 Mn OE2 B:Glu114 2.54 Mn CD B:Glu114 2.98 Mn CG B:Glu114 4.50 Mn OE1 B:Glu116 3.55 Mn CB B:Glu116 5.00 Mn OE2 B:Glu116 2.20 Mn CD B:Glu116 2.84 Mn CG B:Glu116 3.57 Mn N1 B:Imd203 4.30 Mn C2 B:Imd203 4.38 Mn O B:Hoh264 4.15 interactive model: