Manganese in the structure of Recombinant Oxalate Oxidase in Complex With Glycolate (pdb 2ete)

The binding sites of Manganese atom in the structure of Recombinant Oxalate Oxidase in Complex With Glycolate (pdb code 2ete). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2ete structure was solved by O.OPALEYE, R.-S.ROSE, M.M.WHITTAKER, E.-J.WOO, J.W.WHITTAKER, R.W.PICKERSGILL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.8 Space group F4321 a (A) 250.434 b (A) 250.434 c (A) 250.434 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.1 Rfree (%) 19.4 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2ete Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2ete. 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: His88, A: His90, A: Glu95, A: His137, A: Gln139, A: Phe153, A: Glv404, conact list: Atom Atom Distance (A) Mn NE2 A:His88 2.26 Mn ND1 A:His88 4.33 Mn CD2 A:His88 3.18 Mn CE1 A:His88 3.25 Mn CG A:His88 4.33 Mn NE2 A:His90 2.08 Mn ND1 A:His90 4.17 Mn CD2 A:His90 3.02 Mn CE1 A:His90 3.09 Mn CG A:His90 4.17 Mn OE1 A:Glu95 2.08 Mn CB A:Glu95 4.77 Mn OE2 A:Glu95 3.46 Mn CD A:Glu95 3.11 Mn CG A:Glu95 4.46 Mn NE2 A:His137 2.13 Mn ND1 A:His137 4.21 Mn CD2 A:His137 3.12 Mn CE1 A:His137 3.10 Mn CG A:His137 4.26 Mn NE2 A:Gln139 4.65 Mn CE2 A:Phe153 4.65 Mn CZ A:Phe153 4.95 Mn O1 A:Glv404 4.83 Mn O2 A:Glv404 3.60 Mn O3 A:Glv404 2.29 Mn C2 A:Glv404 3.32 Mn C1 A:Glv404 4.57 interactive model: Manganese binding site 2 out of 2 in 2ete Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2ete. 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: His88, B: His90, B: Glu95, B: His137, B: Gln139, B: Phe153, B: Glv406, conact list: Atom Atom Distance (A) Mn NE2 B:His88 2.28 Mn ND1 B:His88 4.32 Mn CD2 B:His88 3.20 Mn CE1 B:His88 3.24 Mn CG B:His88 4.33 Mn NE2 B:His90 2.11 Mn ND1 B:His90 4.20 Mn CD2 B:His90 3.02 Mn CE1 B:His90 3.13 Mn CG B:His90 4.18 Mn OE1 B:Glu95 2.13 Mn CB B:Glu95 4.78 Mn OE2 B:Glu95 3.46 Mn CD B:Glu95 3.13 Mn CG B:Glu95 4.48 Mn NE2 B:His137 2.14 Mn ND1 B:His137 4.23 Mn CD2 B:His137 3.10 Mn CE1 B:His137 3.13 Mn CG B:His137 4.25 Mn NE2 B:Gln139 4.62 Mn CE2 B:Phe153 4.69 Mn CZ B:Phe153 4.95 Mn O1 B:Glv406 4.84 Mn O2 B:Glv406 3.70 Mn O3 B:Glv406 2.34 Mn C2 B:Glv406 3.36 Mn C1 B:Glv406 4.53 interactive model: