Manganese in the structure of Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii (pdb 3fm1)

The binding sites of Manganese atom in the structure of Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii (pdb code 3fm1). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3fm1 structure was solved by K.PIONTEK, A.T.MARTINEZ, T.CHOINOWSKI, D.A.PLATTNER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 24.7-1.8 Space group P43 a (A) 63.645 b (A) 63.645 c (A) 99.598 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 12.4 Rfree (%) 17.2 Manganese Binding Sites: Manganese binding site 1 out of 1 in 3fm1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3fm1. 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: Glu36, A: Glu40, A: Ala173, A: Asp175, A: Hem350, A: Zn335, A: Fe336, A: Hoh805, A: Hoh1158, A: Hoh1159, A: Hoh1160, A: Hoh1161, A: Hoh1163, A: Hoh1166, A: Hoh1176, conact list: Atom Atom Distance (A) Mn OE1 A:Glu36 3.34 Mn OE2 A:Glu36 2.14 Mn CD A:Glu36 3.07 Mn CG A:Glu36 4.42 Mn OE1 A:Glu40 4.18 Mn OE2 A:Glu40 4.86 Mn OE2 A:Glu40 2.20 Mn CD A:Glu40 4.59 Mn CD A:Glu40 3.13 Mn CG A:Glu40 3.98 Mn CG A:Glu40 3.55 Mn O A:Ala173 4.37 Mn C A:Ala173 4.88 Mn N A:Asp175 4.91 Mn CB A:Asp175 4.49 Mn CB A:Asp175 4.43 Mn OD2 A:Asp175 3.17 Mn OD2 A:Asp175 2.21 Mn OD1 A:Asp175 3.46 Mn OD1 A:Asp175 3.58 Mn CG A:Asp175 3.45 Mn CG A:Asp175 3.18 Mn O2D A:Hem350 3.46 Mn CGD A:Hem350 3.07 Mn O1D A:Hem350 2.14 Mn CBD A:Hem350 4.32 Mn O2A A:Hem350 4.88 Mn ZN A:Zn335 4.65 Mn FE A:Fe336 4.19 Mn O A:Hoh805 4.08 Mn O A:Hoh1158 2.12 Mn O A:Hoh1159 2.37 Mn O A:Hoh1160 3.17 Mn O A:Hoh1161 4.31 Mn O A:Hoh1163 3.94 Mn O A:Hoh1166 3.29 Mn O A:Hoh1176 4.79 interactive model: