Aluminium in the structure of Crystal Structure Of A Transition State Mimic Of the Catalytic Subunit of Camp-Dependent Protein Kinase (pdb 1l3r)

The binding sites of Aluminium atom in the structure of Crystal Structure Of A Transition State Mimic Of the Catalytic Subunit of Camp-Dependent Protein Kinase (pdb code 1l3r). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 1l3r structure was solved by MADHUSUDAN, P.AKAMINE, N.-H.XUONG, S.S.TAYLOR, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 35.0-2.0 Space group P212121 a (A) 72.680 b (A) 75.700 c (A) 80.550 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.5 Rfree (%) 23.2 Aluminium Binding Sites: Aluminium binding site 1 out of 1 in 1l3r Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 1l3r. 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: E: Gly52, E: Ser53, E: Phe54, E: Asp166, E: Lys168, E: Asn171, E: Asp184, I: Ala20, I: Ser21, E: Mg391, E: Mg392, E: Adp381, E: Af3400, E: Hoh576, E: Hoh577, E: Hoh578, I: Hoh444, conact list: Atom Atom Distance (A) Al C E:Gly52 4.76 Al CA E:Gly52 4.32 Al N E:Ser53 4.14 Al CE2 E:Phe54 4.57 Al CD2 E:Phe54 4.55 Al OD1 E:Asp166 3.60 Al CG E:Asp166 4.75 Al CE E:Lys168 4.37 Al NZ E:Lys168 3.82 Al ND2 E:Asn171 4.67 Al OD1 E:Asn171 4.67 Al OD2 E:Asp184 3.36 Al CG E:Asp184 4.54 Al C I:Ala20 4.87 Al N I:Ser21 3.77 Al CB I:Ser21 3.04 Al OG I:Ser21 2.27 Al CA I:Ser21 4.01 Al MG E:Mg391 3.35 Al MG E:Mg392 2.99 Al O3B E:Adp381 2.31 Al O2A E:Adp381 4.46 Al O1B E:Adp381 3.81 Al PB E:Adp381 3.41 Al O2B E:Adp381 3.74 Al O3A E:Adp381 4.62 Al F3 E:Af3400 1.85 Al F2 E:Af3400 1.83 Al AL E:Af3400 0.00 Al F1 E:Af3400 1.85 Al O E:Hoh576 4.94 Al O E:Hoh577 4.21 Al O E:Hoh578 3.94 Al O I:Hoh444 4.50 interactive model: