Manganese in the structure of Co-Crystal Structure of E.Coli Rnase Hi Active Site Mutant (D134A*) With MN2+ (pdb 1wsf)

The binding sites of Manganese atom in the structure of Co-Crystal Structure of E.Coli Rnase Hi Active Site Mutant (D134A*) With MN2+ (pdb code 1wsf). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1wsf structure was solved by Y.TSUNAKA, K.TAKANO, H.MATSUMURA, Y.YAMAGATA, S.KANAYA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.3 Space group P21212 a (A) 120.990 b (A) 80.089 c (A) 63.951 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.6 Rfree (%) 29 Manganese Binding Sites: Manganese binding site 1 out of 3 in 1wsf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1wsf. 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: Asp10, A: Gly11, A: Glu48, A: Asp70, A: Ala134, A: Hoh1022, A: Hoh1037, A: Hoh1038, A: Hoh1039, conact list: Atom Atom Distance (A) Mn CB A:Asp10 4.41 Mn OD2 A:Asp10 2.37 Mn OD1 A:Asp10 2.75 Mn CG A:Asp10 2.91 Mn O A:Gly11 3.85 Mn N A:Gly11 4.73 Mn C A:Gly11 4.91 Mn OE2 A:Glu48 4.69 Mn CB A:Asp70 4.93 Mn OD2 A:Asp70 2.57 Mn OD1 A:Asp70 3.74 Mn CG A:Asp70 3.53 Mn CB A:Ala134 4.97 Mn O A:Hoh1022 3.22 Mn O A:Hoh1037 2.48 Mn O A:Hoh1038 3.87 Mn O A:Hoh1039 4.34 interactive model: Manganese binding site 2 out of 3 in 1wsf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1wsf. 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: B: Asp10, B: Gly11, B: Ser12, B: Asn44, B: Asp70, B: His124, B: Ala134, B: Hoh1003, B: Hoh1020, B: Hoh1035, conact list: Atom Atom Distance (A) Mn CB B:Asp10 4.42 Mn OD2 B:Asp10 2.67 Mn C B:Asp10 4.82 Mn OD1 B:Asp10 2.63 Mn CG B:Asp10 2.97 Mn CA B:Asp10 4.92 Mn O B:Gly11 2.49 Mn N B:Gly11 4.05 Mn C B:Gly11 3.69 Mn CA B:Gly11 4.53 Mn N B:Ser12 4.63 Mn CB B:Ser12 4.71 Mn CA B:Ser12 4.65 Mn OD1 B:Asn44 4.58 Mn OD2 B:Asp70 4.23 Mn OD1 B:Asp70 4.63 Mn CG B:Asp70 4.88 Mn NE2 B:His124 3.71 Mn ND1 B:His124 4.52 Mn CE1 B:His124 3.30 Mn CB B:Ala134 4.70 Mn O B:Hoh1003 2.45 Mn O B:Hoh1020 4.20 Mn O B:Hoh1035 2.87 interactive model: Manganese binding site 3 out of 3 in 1wsf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Manganese in the PDB 1wsf. 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: D: Asp10, D: Gly11, D: Asn44, D: Glu48, D: Asp70, D: Hoh1016, D: Hoh1018, D: Hoh1022, D: Hoh1026, D: Hoh1027, D: Hoh1032, conact list: Atom Atom Distance (A) Mn CB D:Asp10 4.46 Mn OD2 D:Asp10 2.42 Mn C D:Asp10 4.92 Mn OD1 D:Asp10 3.42 Mn CG D:Asp10 3.19 Mn CA D:Asp10 4.64 Mn O D:Gly11 4.00 Mn N D:Gly11 4.24 Mn C D:Gly11 4.73 Mn ND2 D:Asn44 4.48 Mn OE2 D:Glu48 3.25 Mn CD D:Glu48 4.43 Mn CG D:Glu48 4.95 Mn CB D:Asp70 4.79 Mn OD2 D:Asp70 2.93 Mn OD1 D:Asp70 2.85 Mn CG D:Asp70 3.27 Mn O D:Hoh1016 2.30 Mn O D:Hoh1018 2.89 Mn O D:Hoh1022 4.66 Mn O D:Hoh1026 3.57 Mn O D:Hoh1027 3.64 Mn O D:Hoh1032 4.62 interactive model: