Manganese in the structure of Crystal Structure of the Protein Serine/Threonine Phosphatase 2C At 2 A Resolution (pdb 1a6q)

The binding sites of Manganese atom in the structure of Crystal Structure of the Protein Serine/Threonine Phosphatase 2C At 2 A Resolution (pdb code 1a6q). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1a6q structure was solved by A.K.DAS, N.R.HELPS, P.T.W.COHEN, D.BARFORD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 6.0-2.0 Space group P3121 a (A) 91.020 b (A) 91.020 c (A) 105.610 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21.4 Rfree (%) n/a Manganese Binding Sites: Manganese binding site 1 out of 2 in 1a6q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1a6q. 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: Asp38, A: Asp60, A: Cys238, A: Asp239, A: Gly240, A: Asp282, A: Asn283, A: Mn384, A: Po4701, A: Hoh702, A: Hoh749, A: Hoh799, A: Hoh879, A: Hoh880, A: Hoh881, A: Hoh883, A: Hoh885, A: Hoh889, conact list: Atom Atom Distance (A) Mn OD1 A:Asp38 4.82 Mn CB A:Asp60 4.44 Mn OD2 A:Asp60 2.21 Mn OD1 A:Asp60 3.15 Mn CG A:Asp60 3.03 Mn CB A:Cys238 4.89 Mn SG A:Cys238 4.95 Mn N A:Asp239 4.77 Mn CB A:Asp239 4.68 Mn OD2 A:Asp239 3.49 Mn C A:Asp239 4.93 Mn OD1 A:Asp239 2.32 Mn CG A:Asp239 3.27 Mn N A:Gly240 4.41 Mn CA A:Gly240 4.99 Mn CB A:Asp282 4.48 Mn OD2 A:Asp282 2.16 Mn OD1 A:Asp282 3.45 Mn CG A:Asp282 3.15 Mn O A:Asn283 4.65 Mn MN A:Mn384 3.98 Mn O1 A:Po4701 3.69 Mn O A:Hoh702 3.77 Mn O A:Hoh749 4.12 Mn O A:Hoh799 1.66 Mn O A:Hoh879 4.45 Mn O A:Hoh880 2.19 Mn O A:Hoh881 4.95 Mn O A:Hoh883 4.30 Mn O A:Hoh885 4.22 Mn O A:Hoh889 1.87 interactive model: Manganese binding site 2 out of 2 in 1a6q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1a6q. 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: Glu37, A: Asp38, A: Asp60, A: Gly61, A: His62, A: Asp282, A: Asn283, A: Mn383, A: Po4701, A: Hoh702, A: Hoh776, A: Hoh799, A: Hoh800, A: Hoh879, A: Hoh880, A: Hoh881, A: Hoh882, A: Hoh889, conact list: Atom Atom Distance (A) Mn OE1 A:Glu37 3.80 Mn CB A:Glu37 4.13 Mn CD A:Glu37 4.82 Mn OD1 A:Asp38 4.61 Mn O A:Asp60 4.55 Mn CB A:Asp60 4.85 Mn OD2 A:Asp60 4.23 Mn C A:Asp60 4.31 Mn OD1 A:Asp60 2.53 Mn CG A:Asp60 3.69 Mn CA A:Asp60 4.87 Mn O A:Gly61 2.14 Mn N A:Gly61 4.16 Mn C A:Gly61 3.32 Mn CA A:Gly61 4.33 Mn N A:His62 4.11 Mn CB A:His62 4.28 Mn CA A:His62 4.02 Mn OD1 A:Asp282 4.64 Mn OD1 A:Asn283 4.50 Mn MN A:Mn383 3.98 Mn O1 A:Po4701 3.94 Mn P A:Po4701 4.20 Mn O4 A:Po4701 4.04 Mn O3 A:Po4701 3.91 Mn O A:Hoh702 2.10 Mn O A:Hoh776 4.88 Mn O A:Hoh799 4.19 Mn O A:Hoh800 2.34 Mn O A:Hoh879 2.64 Mn O A:Hoh880 2.28 Mn O A:Hoh881 4.11 Mn O A:Hoh882 4.35 Mn O A:Hoh889 4.19 interactive model: