Manganese in the structure of Crystal Structure of PFPK7 in Complex With An Atp Analogue (pdb 2pml)

The binding sites of Manganese atom in the structure of Crystal Structure of PFPK7 in Complex With An Atp Analogue (pdb code 2pml). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2pml structure was solved by A.MERCKX, A.ECHALIER, M.NOBLE, J.ENDICOTT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.6 Space group C2221 a (A) 72.554 b (A) 81.795 c (A) 138.273 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 25.8 Rfree (%) 32.7 Manganese Binding Sites: Manganese binding site 1 out of 1 in 2pml Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2pml. 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: X: Lys174, X: Ser176, X: Asn177, X: Asp190, X: Anp381, X: Hoh401, conact list: Atom Atom Distance (A) Mn NZ X:Lys174 3.69 Mn OG X:Ser176 4.35 Mn CB X:Asn177 4.79 Mn ND2 X:Asn177 3.57 Mn OD1 X:Asn177 2.46 Mn CG X:Asn177 3.37 Mn CB X:Asp190 3.33 Mn OD2 X:Asp190 2.42 Mn OD1 X:Asp190 4.41 Mn CG X:Asp190 3.22 Mn CA X:Asp190 4.86 Mn PG X:Anp381 3.21 Mn O2G X:Anp381 4.11 Mn PA X:Anp381 3.68 Mn O5' X:Anp381 4.74 Mn O2B X:Anp381 2.94 Mn O3A X:Anp381 4.25 Mn N3B X:Anp381 3.79 Mn O3G X:Anp381 1.75 Mn O2A X:Anp381 2.28 Mn PB X:Anp381 3.83 Mn C5' X:Anp381 4.90 Mn O1G X:Anp381 4.12 Mn O1A X:Anp381 4.50 Mn O X:Hoh401 4.50 interactive model: