Manganese in the structure of Monoclinic Structure of P. Aeruginosa Ligd Phosphoesterase Domain (pdb 3n9d)

The binding sites of Manganese atom in the structure of Monoclinic Structure of P. Aeruginosa Ligd Phosphoesterase Domain (pdb code 3n9d). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3n9d structure was solved by S.SHUMAN, P.NAIR, P.SMITH, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 28.3-2.3 Space group C121 a (A) 90.997 b (A) 56.585 c (A) 43.503 alpha (°) 90.00 beta (°) 118.33 gamma (°) 90.00 Rfactor (%) 21.2 Rfree (%) 26.3 Manganese Binding Sites: Manganese binding site 1 out of 1 in 3n9d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3n9d. 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: His42, A: His48, A: Asp50, A: So4188, A: Hoh203, A: Hoh204, conact list: Atom Atom Distance (A) Mn NE2 A:His42 4.58 Mn CB A:His42 3.76 Mn ND1 A:His42 2.57 Mn CD2 A:His42 4.62 Mn CE1 A:His42 3.47 Mn CG A:His42 3.51 Mn NE2 A:His48 2.35 Mn ND1 A:His48 4.33 Mn CD2 A:His48 3.48 Mn CE1 A:His48 3.13 Mn CG A:His48 4.53 Mn CB A:Asp50 4.78 Mn OD2 A:Asp50 2.47 Mn OD1 A:Asp50 3.51 Mn CG A:Asp50 3.36 Mn S A:So4188 3.39 Mn O1 A:So4188 3.47 Mn O2 A:So4188 4.34 Mn O4 A:So4188 4.31 Mn O3 A:So4188 2.25 Mn O A:Hoh203 3.85 Mn O A:Hoh204 4.38 interactive model: