Manganese in the structure of Crystal Structure of Isocitrate Dehydrogenase Mutant K230M Bound to Isocitrate and MN2+ (pdb 1cw1)

The binding sites of Manganese atom in the structure of Crystal Structure of Isocitrate Dehydrogenase Mutant K230M Bound to Isocitrate and MN2+ (pdb code 1cw1). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1cw1 structure was solved by R.STROUD, J.FINER-MOORE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 5.5-2.1 Space group P43212 a (A) 102.800 b (A) 102.800 c (A) 150.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19 Rfree (%) 23.3 Manganese Binding Sites: Manganese binding site 1 out of 1 in 1cw1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1cw1. 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: Asp307, A: Asp311, A: Ict417, A: Hoh482, A: Hoh490, A: Hoh545, A: Hoh750, A: Hoh751, conact list: Atom Atom Distance (A) Mn OD2 A:Asp307 4.44 Mn OD1 A:Asp307 2.99 Mn CG A:Asp307 4.09 Mn OD2 A:Asp311 3.49 Mn OD1 A:Asp311 4.19 Mn CG A:Asp311 4.25 Mn C6 A:Ict417 3.95 Mn O2 A:Ict417 3.62 Mn C4 A:Ict417 4.78 Mn C1 A:Ict417 2.83 Mn O1 A:Ict417 2.50 Mn C3 A:Ict417 4.02 Mn O7 A:Ict417 2.21 Mn O6 A:Ict417 3.09 Mn C2 A:Ict417 3.05 Mn O A:Hoh482 3.52 Mn O A:Hoh490 3.11 Mn O A:Hoh545 4.21 Mn O A:Hoh750 3.72 Mn O A:Hoh751 3.17 interactive model: