Manganese in the structure of Modes of Binding Substrates and Their Analogues to the Enzyme D-Xylose Isomerase (pdb 1xij)

The binding sites of Manganese atom in the structure of Modes of Binding Substrates and Their Analogues to the Enzyme D-Xylose Isomerase (pdb code 1xij). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1xij structure was solved by H.L.CARRELL, J.P.GLUSKER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.7 Space group I222 a (A) 93.880 b (A) 99.680 c (A) 102.900 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Manganese Binding Sites: Manganese binding site 1 out of 1 in 1xij Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1xij. 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: Glu181, A: Glu217, A: His220, A: Asp245, A: Asp287, A: The389, A: Hoh408, A: Hoh409, conact list: Atom Atom Distance (A) Mn OE1 A:Glu181 3.37 Mn OE2 A:Glu181 2.21 Mn CD A:Glu181 3.11 Mn CG A:Glu181 4.46 Mn OE1 A:Glu217 2.26 Mn CB A:Glu217 4.13 Mn OE2 A:Glu217 4.17 Mn CD A:Glu217 3.36 Mn CG A:Glu217 4.18 Mn NE2 A:His220 4.32 Mn ND1 A:His220 4.74 Mn CE1 A:His220 3.95 Mn CB A:Asp245 4.04 Mn OD2 A:Asp245 2.34 Mn OD1 A:Asp245 4.44 Mn CG A:Asp245 3.49 Mn CB A:Asp287 3.79 Mn OD2 A:Asp287 2.22 Mn OD1 A:Asp287 4.34 Mn CG A:Asp287 3.31 Mn O5 A:The389 4.14 Mn O2 A:The389 2.34 Mn C4 A:The389 3.23 Mn C1 A:The389 4.60 Mn C3 A:The389 3.57 Mn O3 A:The389 3.76 Mn O4 A:The389 2.32 Mn C2 A:The389 3.33 Mn O A:Hoh408 3.95 Mn O A:Hoh409 3.89 interactive model: