Manganese in the structure of Crystal Structure of A Mycobacterial Protein (pdb 3ckn)

The binding sites of Manganese atom in the structure of Crystal Structure of A Mycobacterial Protein (pdb code 3ckn). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3ckn structure was solved by Z.MARLAND, J.ROSSJOHN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.2 Space group P41212 a (A) 86.862 b (A) 86.862 c (A) 104.243 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.6 Rfree (%) 23.2 Manganese Binding Sites: Manganese binding site 1 out of 1 in 3ckn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3ckn. 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: Asp139, A: Asp141, A: Arg261, A: His263, A: Arg264, A: Udp332, A: Hoh367, A: Hoh368, conact list: Atom Atom Distance (A) Mn CB A:Asp139 4.94 Mn OD2 A:Asp139 4.21 Mn CG A:Asp139 4.89 Mn CB A:Asp141 4.36 Mn OD2 A:Asp141 2.18 Mn OD1 A:Asp141 2.99 Mn CG A:Asp141 2.92 Mn NH2 A:Arg261 4.89 Mn NE2 A:His263 4.48 Mn CB A:His263 4.48 Mn ND1 A:His263 2.71 Mn CD2 A:His263 4.83 Mn CE1 A:His263 3.23 Mn CG A:His263 3.92 Mn O A:Arg264 4.45 Mn O3B A:Udp332 4.51 Mn C3' A:Udp332 4.96 Mn PA A:Udp332 3.52 Mn O2A A:Udp332 4.58 Mn O1B A:Udp332 4.20 Mn PB A:Udp332 3.44 Mn C5' A:Udp332 4.30 Mn O5' A:Udp332 4.39 Mn O2B A:Udp332 2.20 Mn O3A A:Udp332 3.78 Mn O1A A:Udp332 2.32 Mn O A:Hoh367 2.10 Mn O A:Hoh368 1.84 interactive model: