Aluminium in the structure of Crystal Structure Of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1 (pdb 2ik8)

The binding sites of Aluminium atom in the structure of Crystal Structure Of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1 (pdb code 2ik8). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 2ik8 structure was solved by M.SOUNDARARAJAN, A.P.TURNBULL, E.PAPAGRIGORIOU, J.DEBRECZENI, F.GORREC, F.VON DELFT, J.WEIGELT, A.EDWARDS, C.ARROWSMITH, M.SUNDSTROM, D.A.DOYLE, STRUCTURAL GENOMICS CONSORTIUM (SGC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 49.6-2.7 Space group P212121 a (A) 82.656 b (A) 104.312 c (A) 124.048 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.3 Rfree (%) 29.1 Aluminium Binding Sites: Aluminium binding site 1 out of 2 in 2ik8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 2ik8. 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: Gly42, A: Glu43, A: Lys46, A: Arg178, A: Lys180, A: Thr181, A: Val201, A: Gly202, A: Gly203, A: Gln204, A: Alf355, A: Mg356, A: Gdp401, A: Hoh408, A: Hoh416, A: Hoh417, conact list: Atom Atom Distance (A) Al C A:Gly42 4.70 Al CA A:Gly42 4.35 Al N A:Glu43 3.97 Al CA A:Glu43 4.90 Al CE A:Lys46 4.98 Al NZ A:Lys46 3.76 Al CZ A:Arg178 4.51 Al NH2 A:Arg178 4.35 Al NH1 A:Arg178 3.75 Al CA A:Lys180 5.00 Al O A:Thr181 4.36 Al N A:Thr181 4.07 Al CB A:Thr181 4.26 Al OG1 A:Thr181 3.79 Al CA A:Thr181 4.68 Al O A:Val201 4.75 Al C A:Gly202 4.69 Al CA A:Gly202 4.40 Al N A:Gly203 3.92 Al CA A:Gly203 4.83 Al NE2 A:Gln204 4.05 Al OE1 A:Gln204 3.92 Al CD A:Gln204 4.41 Al F4 A:Alf355 1.78 Al F3 A:Alf355 1.79 Al F2 A:Alf355 1.77 Al AL A:Alf355 0.00 Al F1 A:Alf355 1.78 Al MG A:Mg356 3.34 Al O3B A:Gdp401 3.94 Al O1B A:Gdp401 3.60 Al PB A:Gdp401 3.18 Al O2B A:Gdp401 1.81 Al O3A A:Gdp401 4.32 Al O A:Hoh408 3.72 Al O A:Hoh416 1.93 Al O A:Hoh417 4.06 interactive model: Aluminium binding site 2 out of 2 in 2ik8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 2ik8. 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: C: Gly42, C: Glu43, C: Lys46, C: Arg178, C: Lys180, C: Thr181, C: Val201, C: Gly202, C: Gly203, C: Gln204, C: Alf355, C: Mg356, C: Gdp402, C: Hoh405, C: Hoh407, C: Hoh413, conact list: Atom Atom Distance (A) Al C C:Gly42 4.60 Al CA C:Gly42 4.26 Al N C:Glu43 3.85 Al CA C:Glu43 4.77 Al CE C:Lys46 4.63 Al NZ C:Lys46 4.25 Al CZ C:Arg178 4.31 Al NH2 C:Arg178 3.93 Al NH1 C:Arg178 3.79 Al C C:Lys180 4.93 Al CG C:Lys180 4.79 Al CA C:Lys180 4.84 Al O C:Thr181 4.44 Al N C:Thr181 4.02 Al CB C:Thr181 4.36 Al OG1 C:Thr181 4.27 Al CA C:Thr181 4.68 Al O C:Val201 4.85 Al CA C:Gly202 4.75 Al N C:Gly203 4.19 Al NE2 C:Gln204 4.20 Al OE1 C:Gln204 4.00 Al CD C:Gln204 4.52 Al F4 C:Alf355 1.79 Al F3 C:Alf355 1.77 Al F2 C:Alf355 1.77 Al AL C:Alf355 0.00 Al F1 C:Alf355 1.79 Al MG C:Mg356 3.23 Al O3B C:Gdp402 3.82 Al O1B C:Gdp402 3.57 Al PB C:Gdp402 3.11 Al O2B C:Gdp402 1.73 Al O3A C:Gdp402 4.27 Al O1A C:Gdp402 4.83 Al O C:Hoh405 4.30 Al O C:Hoh407 1.94 Al O C:Hoh413 3.52 interactive model: