Manganese in the structure of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis (pdb 2b7o)

The binding sites of Manganese atom in the structure of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis (pdb code 2b7o). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2b7o structure was solved by C.J.WEBBY, H.M.BAKER, J.S.LOTT, E.N.BAKER, E.J.PARKER, MYCOBACTERIUMTUBERCULOSIS STRUCTURAL PROTEOMICS PROJECT (XMTB), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 47.0-2.3 Space group P3221 a (A) 204.085 b (A) 204.085 c (A) 66.230 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18.8 Rfree (%) 22.4 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2b7o Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2b7o. 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: Cys87, A: Arg126, A: His369, A: Arg382, A: Glu411, A: Asp441, A: Pep702, A: Hoh2024, A: Hoh2025, conact list: Atom Atom Distance (A) Mn O A:Cys87 4.47 Mn CB A:Cys87 3.71 Mn SG A:Cys87 2.47 Mn C A:Cys87 4.69 Mn CA A:Cys87 4.25 Mn NH2 A:Arg126 4.19 Mn NE2 A:His369 2.51 Mn ND1 A:His369 4.66 Mn CD2 A:His369 3.23 Mn CE1 A:His369 3.65 Mn CG A:His369 4.49 Mn CZ A:Arg382 4.96 Mn NH2 A:Arg382 4.08 Mn NH1 A:Arg382 4.83 Mn OE1 A:Glu411 2.03 Mn OE2 A:Glu411 3.02 Mn CD A:Glu411 2.86 Mn CG A:Glu411 4.27 Mn CB A:Asp441 3.64 Mn OD2 A:Asp441 2.91 Mn OD1 A:Asp441 4.58 Mn CG A:Asp441 3.54 Mn CA A:Asp441 4.94 Mn C1 A:Pep702 4.36 Mn O1 A:Pep702 3.97 Mn O2' A:Pep702 4.62 Mn O A:Hoh2024 3.90 Mn O A:Hoh2025 4.14 interactive model: Manganese binding site 2 out of 2 in 2b7o Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2b7o. 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: Cys87, B: Arg126, B: His369, B: Arg382, B: Glu411, B: Asp441, B: Pep703, B: Hoh2035, conact list: Atom Atom Distance (A) Mn O B:Cys87 4.57 Mn CB B:Cys87 3.92 Mn SG B:Cys87 2.76 Mn C B:Cys87 4.80 Mn CA B:Cys87 4.34 Mn CZ B:Arg126 4.92 Mn NH2 B:Arg126 4.17 Mn NE2 B:His369 2.54 Mn ND1 B:His369 4.68 Mn CD2 B:His369 3.30 Mn CE1 B:His369 3.64 Mn CG B:His369 4.55 Mn NH2 B:Arg382 4.18 Mn NH1 B:Arg382 4.84 Mn OE1 B:Glu411 2.70 Mn OE2 B:Glu411 2.57 Mn CD B:Glu411 2.80 Mn CG B:Glu411 4.04 Mn CB B:Asp441 3.72 Mn OD2 B:Asp441 2.82 Mn OD1 B:Asp441 4.58 Mn CG B:Asp441 3.54 Mn C1 B:Pep703 4.40 Mn O1 B:Pep703 4.01 Mn O2' B:Pep703 4.48 Mn O B:Hoh2035 3.90 interactive model: