Manganese in the structure of The Structure of Transporter Associated Domain CORC_HLYC From A Xylella Fastidiosa TEMECULA1 Hemolysin in Complex With Mg++ and Mn++ (pdb 2r8d)

The binding sites of Manganese atom in the structure of The Structure of Transporter Associated Domain CORC_HLYC From A Xylella Fastidiosa TEMECULA1 Hemolysin in Complex With Mg++ and Mn++ (pdb code 2r8d). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2r8d structure was solved by M.E.CUFF, L.VOLKART, A.JOACHIMIAK, MIDWEST CENTER FOR STRUCTURALGENOMICS (MCSG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.4-2.0 Space group I23 a (A) 88.061 b (A) 88.061 c (A) 88.061 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.1 Rfree (%) 22 Manganese Binding Sites: Manganese binding site 1 out of 1 in 2r8d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2r8d. 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: Asp76, A: Asp78, A: Asp83, A: Mg93, A: Hoh104, A: Hoh116, conact list: Atom Atom Distance (A) Mn CB A:Asp76 4.33 Mn OD2 A:Asp76 2.06 Mn OD1 A:Asp76 3.61 Mn CG A:Asp76 3.12 Mn CB A:Asp78 4.48 Mn OD2 A:Asp78 2.18 Mn OD1 A:Asp78 3.30 Mn CG A:Asp78 3.08 Mn CB A:Asp83 3.64 Mn OD2 A:Asp83 2.42 Mn OD1 A:Asp83 4.22 Mn CG A:Asp83 3.22 Mn MG A:Mg93 3.73 Mn O A:Hoh104 4.77 Mn O A:Hoh116 4.47 interactive model: