Manganese in the structure of Chey From Thermotoga Maritima (Mn-III) (pdb 3tmy)

The binding sites of Manganese atom in the structure of Chey From Thermotoga Maritima (Mn-III) (pdb code 3tmy). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3tmy structure was solved by K.C.USHER, A.DE LA CRUZ, F.W.DAHLQUIST, S.J.REMINGTON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.2 Space group P212121 a (A) 109.658 b (A) 64.719 c (A) 33.810 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.2 Rfree (%) n/a Manganese Binding Sites: Manganese binding site 1 out of 2 in 3tmy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3tmy. 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: Asp9, A: Asp10, A: Asp54, A: Thr56, A: Met57, A: Lys104, A: Hoh200, A: Hoh201, A: Hoh202, A: Hoh203, conact list: Atom Atom Distance (A) Mn OD2 A:Asp9 4.96 Mn OD1 A:Asp9 4.12 Mn CG A:Asp9 4.64 Mn N A:Asp10 4.52 Mn CB A:Asp10 4.42 Mn OD2 A:Asp10 3.09 Mn OD1 A:Asp10 2.13 Mn CG A:Asp10 2.94 Mn CA A:Asp10 4.98 Mn CB A:Asp54 4.47 Mn OD2 A:Asp54 2.18 Mn OD1 A:Asp54 3.87 Mn CG A:Asp54 3.35 Mn O A:Thr56 2.23 Mn N A:Thr56 4.48 Mn CB A:Thr56 4.39 Mn CG2 A:Thr56 4.88 Mn C A:Thr56 3.44 Mn CA A:Thr56 4.32 Mn N A:Met57 4.41 Mn CG A:Met57 4.24 Mn CA A:Met57 4.62 Mn NZ A:Lys104 4.69 Mn O A:Hoh200 2.46 Mn O A:Hoh201 2.07 Mn O A:Hoh202 2.34 Mn O A:Hoh203 4.36 interactive model: Manganese binding site 2 out of 2 in 3tmy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3tmy. 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: Asp9, B: Asp10, B: Asp54, B: Thr56, B: Met57, B: Lys104, B: Hoh200, B: Hoh201, B: Hoh202, B: Hoh203, conact list: Atom Atom Distance (A) Mn OD1 B:Asp9 4.16 Mn CG B:Asp9 4.98 Mn N B:Asp10 4.66 Mn CB B:Asp10 4.59 Mn OD2 B:Asp10 3.51 Mn OD1 B:Asp10 2.26 Mn CG B:Asp10 3.21 Mn CB B:Asp54 4.47 Mn OD2 B:Asp54 2.17 Mn OD1 B:Asp54 3.36 Mn CG B:Asp54 3.14 Mn O B:Thr56 2.18 Mn N B:Thr56 4.40 Mn CB B:Thr56 4.10 Mn CG2 B:Thr56 4.57 Mn C B:Thr56 3.34 Mn CA B:Thr56 4.09 Mn N B:Met57 4.35 Mn CB B:Met57 4.93 Mn CG B:Met57 4.20 Mn CA B:Met57 4.50 Mn NZ B:Lys104 4.25 Mn O B:Hoh200 2.27 Mn O B:Hoh201 2.45 Mn O B:Hoh202 2.37 Mn O B:Hoh203 4.21 interactive model: