Manganese in the structure of Structure of Plasmodium Falciparum Arginase in Complex With Abh (pdb 3mmr)

The binding sites of Manganese atom in the structure of Structure of Plasmodium Falciparum Arginase in Complex With Abh (pdb code 3mmr). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3mmr structure was solved by D.P.DOWLING, M.ILIES, K.L.OLSZEWSKI, S.PORTUGAL, M.M.MOTA, M.LLINAS, D.W.CHRISTIANSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 37.1-2.1 Space group H32 a (A) 112.594 b (A) 112.594 c (A) 228.900 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 15.5 Rfree (%) 18.6 Manganese Binding Sites: Manganese binding site 1 out of 2 in 3mmr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3mmr. 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: His193, A: Trp214, A: Asp216, A: Asp220, A: His233, A: Asp323, A: Glu368, A: Mn413, A: Abh551, conact list: Atom Atom Distance (A) Mn NE2 A:His193 4.28 Mn CB A:His193 3.48 Mn ND1 A:His193 2.23 Mn CD2 A:His193 4.31 Mn CE1 A:His193 3.18 Mn CG A:His193 3.19 Mn CA A:His193 4.94 Mn CZ2 A:Trp214 4.60 Mn CE2 A:Trp214 4.82 Mn NE1 A:Trp214 4.36 Mn CB A:Asp216 4.43 Mn OD2 A:Asp216 3.44 Mn OD1 A:Asp216 2.11 Mn CG A:Asp216 3.11 Mn CB A:Asp220 4.46 Mn OD2 A:Asp220 2.14 Mn OD1 A:Asp220 3.41 Mn CG A:Asp220 3.10 Mn O A:His233 4.60 Mn CB A:Asp323 3.65 Mn OD2 A:Asp323 2.31 Mn OD1 A:Asp323 4.42 Mn CG A:Asp323 3.31 Mn OE2 A:Glu368 4.79 Mn CG A:Glu368 4.67 Mn MN A:Mn413 3.30 Mn O2 A:Abh551 2.35 Mn CE A:Abh551 4.11 Mn B A:Abh551 2.82 Mn O1 A:Abh551 2.25 Mn O3 A:Abh551 3.72 interactive model: Manganese binding site 2 out of 2 in 3mmr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3mmr. 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: Asp216, A: Ala217, A: His218, A: Asp220, A: Asp323, A: Asp325, A: Mn412, A: Abh551, A: Hoh416, conact list: Atom Atom Distance (A) Mn CB A:Asp216 4.52 Mn OD2 A:Asp216 2.19 Mn C A:Asp216 4.98 Mn OD1 A:Asp216 3.43 Mn CG A:Asp216 3.15 Mn CA A:Asp216 4.85 Mn N A:Ala217 4.22 Mn C A:Ala217 4.91 Mn CB A:Ala217 4.79 Mn CA A:Ala217 4.88 Mn NE2 A:His218 4.25 Mn N A:His218 4.08 Mn CB A:His218 3.81 Mn ND1 A:His218 2.26 Mn CD2 A:His218 4.43 Mn CE1 A:His218 3.05 Mn CG A:His218 3.38 Mn CA A:His218 4.57 Mn OD2 A:Asp220 4.81 Mn OD1 A:Asp220 4.57 Mn CB A:Asp323 4.17 Mn OD2 A:Asp323 2.29 Mn OD1 A:Asp323 3.66 Mn CG A:Asp323 3.15 Mn CB A:Asp325 4.22 Mn OD2 A:Asp325 2.26 Mn OD1 A:Asp325 2.48 Mn CG A:Asp325 2.70 Mn MN A:Mn412 3.30 Mn O2 A:Abh551 3.85 Mn CE A:Abh551 4.19 Mn B A:Abh551 2.97 Mn O1 A:Abh551 2.18 Mn CD A:Abh551 4.43 Mn O3 A:Abh551 2.68 Mn O A:Hoh416 4.73 interactive model: