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

The binding sites of Manganese atom in the structure of Crystal Structure of A Mycobacterial Protein (pdb code 3ckq). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3ckq structure was solved by Z.MARLAND, J.ROSSJOHN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.1-3.0 Space group P41212 a (A) 87.025 b (A) 87.025 c (A) 103.687 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.4 Rfree (%) 25.4 Manganese Binding Sites: Manganese binding site 1 out of 1 in 3ckq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3ckq. 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: His263, A: Arg264, A: Upg332, A: Hoh334, A: Hoh335, A: Hoh336, conact list: Atom Atom Distance (A) Mn OD2 A:Asp139 4.64 Mn CB A:Asp141 4.34 Mn OD2 A:Asp141 2.08 Mn OD1 A:Asp141 3.05 Mn CG A:Asp141 2.91 Mn NE2 A:His263 4.13 Mn CB A:His263 3.57 Mn ND1 A:His263 2.38 Mn CD2 A:His263 4.17 Mn CE1 A:His263 3.16 Mn CG A:His263 3.20 Mn CA A:His263 4.91 Mn O A:Arg264 4.79 Mn N A:Arg264 4.34 Mn CB A:Arg264 4.92 Mn O3B A:Upg332 4.81 Mn PA A:Upg332 3.39 Mn C5C A:Upg332 4.05 Mn O2B A:Upg332 2.68 Mn O3A A:Upg332 3.45 Mn O5C A:Upg332 4.19 Mn O2A A:Upg332 4.58 Mn O1B A:Upg332 4.58 Mn PB A:Upg332 3.64 Mn C2' A:Upg332 4.52 Mn O2' A:Upg332 3.17 Mn O1A A:Upg332 2.29 Mn O A:Hoh334 4.91 Mn O A:Hoh335 2.37 Mn O A:Hoh336 2.41 interactive model: