Manganese in the structure of Crystal Structure of Amidohydrorolase II; Northeast Structural Genomics Target LPR24 (pdb 2f6k)

The binding sites of Manganese atom in the structure of Crystal Structure of Amidohydrorolase II; Northeast Structural Genomics Target LPR24 (pdb code 2f6k). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2f6k structure was solved by K.DAS, R.XIAO, T.ACTON, L.MA, E.ARNOLD, G.T.MONTELIONE, NORTHEASTSTRUCTURAL GENOMICS CONSORTIUM (NESG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 49.9-2.5 Space group P4322 a (A) 82.620 b (A) 82.620 c (A) 240.815 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.2 Rfree (%) 22.5 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2f6k Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2f6k. 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: His7, A: His9, A: Ser57, A: His154, A: His205, A: Asp266, A: Hoh409, A: Hoh459, conact list: Atom Atom Distance (A) Mn NE2 A:His7 2.13 Mn ND1 A:His7 4.21 Mn CD2 A:His7 3.13 Mn CE1 A:His7 3.09 Mn CG A:His7 4.27 Mn NE2 A:His9 2.28 Mn ND1 A:His9 4.37 Mn CD2 A:His9 3.24 Mn CE1 A:His9 3.25 Mn CG A:His9 4.40 Mn CB A:Ser57 4.79 Mn OG A:Ser57 4.13 Mn NE2 A:His154 2.10 Mn ND1 A:His154 4.13 Mn CD2 A:His154 3.18 Mn CE1 A:His154 2.96 Mn CG A:His154 4.26 Mn NE2 A:His205 4.59 Mn CE1 A:His205 4.84 Mn CB A:Asp266 4.56 Mn OD2 A:Asp266 3.42 Mn OD1 A:Asp266 2.40 Mn CG A:Asp266 3.22 Mn CA A:Asp266 4.88 Mn O A:Hoh409 2.09 Mn O A:Hoh459 2.31 interactive model: Manganese binding site 2 out of 2 in 2f6k Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2f6k. 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: B: His7, B: His9, B: Ser57, B: His154, B: His205, B: Asp266, B: Hoh454, B: Hoh456, conact list: Atom Atom Distance (A) Mn NE2 B:His7 2.21 Mn ND1 B:His7 4.31 Mn CD2 B:His7 3.19 Mn CE1 B:His7 3.19 Mn CG B:His7 4.34 Mn NE2 B:His9 2.28 Mn ND1 B:His9 4.31 Mn CD2 B:His9 3.31 Mn CE1 B:His9 3.16 Mn CG B:His9 4.41 Mn CB B:Ser57 4.74 Mn OG B:Ser57 3.91 Mn NE2 B:His154 2.15 Mn ND1 B:His154 4.15 Mn CD2 B:His154 3.17 Mn CE1 B:His154 3.03 Mn CG B:His154 4.25 Mn NE2 B:His205 4.59 Mn CE1 B:His205 4.82 Mn CB B:Asp266 4.58 Mn OD2 B:Asp266 3.45 Mn OD1 B:Asp266 2.39 Mn CG B:Asp266 3.23 Mn CA B:Asp266 4.88 Mn O B:Hoh454 2.47 Mn O B:Hoh456 2.18 interactive model: