Manganese in the structure of Crystal Structure Of the Catalytic Domain of Toxin B From Clostridium Difficile in Complex With Udp, Glc and Manganese Ion (pdb 2bvl)

The binding sites of Manganese atom in the structure of Crystal Structure Of the Catalytic Domain of Toxin B From Clostridium Difficile in Complex With Udp, Glc and Manganese Ion (pdb code 2bvl). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2bvl structure was solved by D.J.REINERT, T.JANK, K.AKTORIES, G.E.SCHULZ, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.2 Space group P212121 a (A) 63.010 b (A) 95.797 c (A) 112.915 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.7 Rfree (%) 24.4 Manganese Binding Sites: Manganese binding site 1 out of 1 in 2bvl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2bvl. 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: Asp286, A: Asp288, A: Gln385, A: Glu515, A: Udp1545, A: Glc1546, A: Hoh2327, A: Hoh2347, A: Hoh2348, A: Hoh2349, A: Hoh2350, A: Hoh2352, conact list: Atom Atom Distance (A) Mn CB A:Asp286 4.91 Mn OD2 A:Asp286 4.19 Mn CG A:Asp286 4.86 Mn CB A:Asp288 4.51 Mn OD2 A:Asp288 2.16 Mn OD1 A:Asp288 3.48 Mn CG A:Asp288 3.15 Mn OE1 A:Gln385 4.25 Mn O A:Glu515 4.31 Mn OE1 A:Glu515 2.15 Mn CB A:Glu515 4.44 Mn OE2 A:Glu515 4.01 Mn CD A:Glu515 3.36 Mn C A:Glu515 4.76 Mn CG A:Glu515 4.47 Mn CA A:Glu515 4.21 Mn O3B A:Udp1545 2.28 Mn PA A:Udp1545 3.29 Mn O2A A:Udp1545 4.02 Mn O1B A:Udp1545 4.76 Mn PB A:Udp1545 3.24 Mn O5' A:Udp1545 4.56 Mn O2B A:Udp1545 3.61 Mn O3A A:Udp1545 3.68 Mn O1A A:Udp1545 2.08 Mn O2 A:Glc1546 4.23 Mn O A:Hoh2327 4.08 Mn O A:Hoh2347 2.30 Mn O A:Hoh2348 2.08 Mn O A:Hoh2349 4.15 Mn O A:Hoh2350 3.85 Mn O A:Hoh2352 4.93 interactive model: