Manganese in the structure of Crystal Structure of Toxoflavin Lyase (Tfla) Bound to Mn(II) (pdb 3pkw)

The binding sites of Manganese atom in the structure of Crystal Structure of Toxoflavin Lyase (Tfla) Bound to Mn(II) (pdb code 3pkw). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3pkw structure was solved by M.K.FENWICK, B.PHILMUS, T.P.BEGLEY, S.E.EALICK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 24.1-1.8 Space group H3 a (A) 110.856 b (A) 110.856 c (A) 55.734 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18.9 Rfree (%) 22.3 Manganese Binding Sites: Manganese binding site 1 out of 1 in 3pkw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3pkw. 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: His60, A: Ala62, A: Tyr103, A: Glu113, A: Glu138, A: Leu181, A: Hoh233, A: Hoh272, A: Hoh273, A: Hoh297, A: Hoh326, A: Hoh328, A: Hoh376, conact list: Atom Atom Distance (A) Mn NE2 A:His60 2.25 Mn ND1 A:His60 4.32 Mn CD2 A:His60 3.27 Mn CE1 A:His60 3.17 Mn CG A:His60 4.39 Mn CB A:Ala62 4.61 Mn CE2 A:Tyr103 4.55 Mn CZ A:Tyr103 4.90 Mn OH A:Tyr103 4.26 Mn OE1 A:Glu113 2.22 Mn CB A:Glu113 4.79 Mn OE2 A:Glu113 3.49 Mn CD A:Glu113 3.21 Mn CG A:Glu113 4.57 Mn OE1 A:Glu138 2.18 Mn CB A:Glu138 4.76 Mn OE2 A:Glu138 3.53 Mn CD A:Glu138 3.20 Mn CG A:Glu138 4.54 Mn CD1 A:Leu181 4.44 Mn O A:Hoh233 2.29 Mn O A:Hoh272 2.40 Mn O A:Hoh273 2.23 Mn O A:Hoh297 4.16 Mn O A:Hoh326 4.51 Mn O A:Hoh328 3.98 Mn O A:Hoh376 4.46 interactive model: