Aluminium in the structure of Ump/Cmp Kinase From Slime Mold Complexed With Adp, Cmp, and ALF3 (pdb 3ukd)

The binding sites of Aluminium atom in the structure of Ump/Cmp Kinase From Slime Mold Complexed With Adp, Cmp, and ALF3 (pdb code 3ukd). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 3ukd structure was solved by I.SCHLICHTING, J.REINSTEIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 9.9-1.9 Space group P41212 a (A) 78.800 b (A) 78.800 c (A) 100.700 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.8 Rfree (%) 23.2 Aluminium Binding Sites: Aluminium binding site 1 out of 1 in 3ukd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 3ukd. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Aluminium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Pro15, A: Gly16, A: Lys19, A: Arg93, A: Arg131, A: Arg137, A: Arg148, A: Mg500, A: Adp195, A: C5p196, A: Af3501, A: Hoh198, A: Hoh215, A: Hoh220, conact list: Atom Atom Distance (A) Al C A:Pro15 4.72 Al CA A:Pro15 4.41 Al N A:Gly16 3.99 Al CA A:Gly16 4.85 Al CE A:Lys19 4.83 Al NZ A:Lys19 4.13 Al NH2 A:Arg93 4.42 Al CZ A:Arg131 4.64 Al NH2 A:Arg131 4.29 Al NH1 A:Arg131 3.98 Al CZ A:Arg137 4.36 Al NH2 A:Arg137 3.96 Al NH1 A:Arg137 3.76 Al CZ A:Arg148 4.08 Al NH2 A:Arg148 3.41 Al NH1 A:Arg148 3.82 Al MG A:Mg500 3.60 Al O3B A:Adp195 2.02 Al O1B A:Adp195 4.04 Al PB A:Adp195 3.35 Al O2B A:Adp195 3.65 Al O3A A:Adp195 4.43 Al P A:C5p196 3.45 Al O3P A:C5p196 2.21 Al O1P A:C5p196 4.07 Al O5' A:C5p196 4.61 Al O2P A:C5p196 3.70 Al F3 A:Af3501 1.62 Al F2 A:Af3501 1.70 Al AL A:Af3501 0.00 Al F1 A:Af3501 1.73 Al O A:Hoh198 3.46 Al O A:Hoh215 4.47 Al O A:Hoh220 4.67 interactive model: