Manganese in the structure of Structural and Spectroscopic Insights Into the Mechanism of Oxalate Oxidase (pdb 2et7)

The binding sites of Manganese atom in the structure of Structural and Spectroscopic Insights Into the Mechanism of Oxalate Oxidase (pdb code 2et7). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2et7 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) 30.0-1.7 Space group H32 a (A) 94.823 b (A) 94.823 c (A) 106.238 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 16.3 Rfree (%) 21.1 Manganese Binding Sites: Manganese binding site 1 out of 1 in 2et7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2et7. 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: Asn85, A: His88, A: His90, A: Glu95, A: His137, A: Gln139, A: Phe153, A: Hoh203, A: Hoh367, conact list: Atom Atom Distance (A) Mn ND2 A:Asn85 4.89 Mn NE2 A:His88 2.11 Mn ND1 A:His88 4.12 Mn CD2 A:His88 3.11 Mn CE1 A:His88 3.01 Mn CG A:His88 4.20 Mn NE2 A:His90 2.07 Mn ND1 A:His90 4.11 Mn CD2 A:His90 2.98 Mn CE1 A:His90 3.05 Mn CG A:His90 4.11 Mn OE1 A:Glu95 2.47 Mn OE2 A:Glu95 3.76 Mn CD A:Glu95 3.46 Mn CG A:Glu95 4.82 Mn NE2 A:His137 2.08 Mn ND1 A:His137 4.15 Mn CD2 A:His137 3.06 Mn CE1 A:His137 3.04 Mn CG A:His137 4.19 Mn NE2 A:Gln139 4.69 Mn CE2 A:Phe153 4.83 Mn O A:Hoh203 2.30 Mn O A:Hoh367 4.91 interactive model: