Aluminium in the structure of Structure of the Mnme G-Domain in Complex With Gdp*ALF4-, MG2+ and Rb+ (pdb 2gj9)

The binding sites of Aluminium atom in the structure of Structure of the Mnme G-Domain in Complex With Gdp*ALF4-, MG2+ and Rb+ (pdb code 2gj9). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 2gj9 structure was solved by A.SCRIMA, A.WITTINGHOFER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.0 Space group P1211 a (A) 57.240 b (A) 70.100 c (A) 90.210 alpha (°) 90.00 beta (°) 95.76 gamma (°) 90.00 Rfactor (%) 25 Rfree (%) 29.9 Aluminium Binding Sites: Aluminium binding site 1 out of 4 in 2gj9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 2gj9. 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: Pro225, A: Asn226, A: Lys229, A: Ala248, A: Gly249, A: Thr250, A: Thr251, A: Gly273, A: Alf401, A: Mg402, A: Rb403, A: Gdp400, A: Hoh8, A: Hoh9, A: Hoh11, A: Hoh12, conact list: Atom Atom Distance (A) Al CB A:Pro225 4.58 Al C A:Pro225 4.56 Al CA A:Pro225 4.12 Al N A:Asn226 3.87 Al OD1 A:Asn226 4.96 Al CA A:Asn226 4.86 Al NZ A:Lys229 4.12 Al C A:Ala248 4.92 Al N A:Gly249 3.93 Al C A:Gly249 4.74 Al CA A:Gly249 4.49 Al N A:Thr250 4.04 Al CB A:Thr250 4.78 Al CA A:Thr250 4.81 Al O A:Thr251 4.60 Al N A:Thr251 4.21 Al CB A:Thr251 4.44 Al OG1 A:Thr251 4.39 Al CA A:Thr251 4.89 Al N A:Gly273 4.08 Al CA A:Gly273 4.66 Al F4 A:Alf401 1.74 Al F3 A:Alf401 1.77 Al F2 A:Alf401 1.77 Al AL A:Alf401 0.00 Al F1 A:Alf401 1.76 Al MG A:Mg402 3.49 Al RB A:Rb403 3.80 Al O3B A:Gdp400 3.64 Al O1B A:Gdp400 3.83 Al PB A:Gdp400 3.23 Al O2B A:Gdp400 2.02 Al O3A A:Gdp400 4.41 Al O A:Hoh8 4.19 Al O A:Hoh9 2.01 Al O A:Hoh11 4.23 Al O A:Hoh12 4.34 interactive model: Aluminium binding site 2 out of 4 in 2gj9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 2gj9. 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: B: Pro225, B: Asn226, B: Lys229, B: Gly249, B: Thr250, B: Thr251, B: Gly273, B: Alf501, B: Mg502, B: Rb503, B: Gdp500, B: Hoh13, B: Hoh14, conact list: Atom Atom Distance (A) Al CB B:Pro225 4.73 Al C B:Pro225 4.66 Al CA B:Pro225 4.31 Al N B:Asn226 3.96 Al OD1 B:Asn226 4.94 Al CA B:Asn226 4.97 Al CE B:Lys229 4.79 Al NZ B:Lys229 4.10 Al N B:Gly249 4.03 Al C B:Gly249 4.69 Al CA B:Gly249 4.49 Al N B:Thr250 3.95 Al CB B:Thr250 4.70 Al C B:Thr250 4.90 Al CA B:Thr250 4.72 Al O B:Thr251 4.62 Al N B:Thr251 4.05 Al CB B:Thr251 4.56 Al OG1 B:Thr251 4.46 Al CA B:Thr251 4.81 Al N B:Gly273 4.12 Al CA B:Gly273 4.61 Al F4 B:Alf501 1.77 Al F3 B:Alf501 1.79 Al F2 B:Alf501 1.72 Al AL B:Alf501 0.00 Al F1 B:Alf501 1.73 Al MG B:Mg502 3.60 Al RB B:Rb503 3.63 Al O3B B:Gdp500 3.57 Al O1B B:Gdp500 3.91 Al PB B:Gdp500 3.14 Al O2B B:Gdp500 1.94 Al O3A B:Gdp500 4.39 Al O B:Hoh13 4.35 Al O B:Hoh14 1.91 interactive model: Aluminium binding site 3 out of 4 in 2gj9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Aluminium in the PDB 2gj9. 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: Pro225, C: Asn226, C: Lys229, C: Ile247, C: Ala248, C: Gly249, C: Thr250, C: Thr251, C: Gly273, C: Alf601, C: Mg602, C: Rb603, C: Gdp600, C: Hoh1, C: Hoh2, C: Hoh4, C: Hoh5, conact list: Atom Atom Distance (A) Al CB C:Pro225 4.64 Al C C:Pro225 4.63 Al CA C:Pro225 4.22 Al N C:Asn226 3.94 Al CA C:Asn226 4.96 Al NZ C:Lys229 4.21 Al O C:Ile247 4.97 Al C C:Ala248 4.90 Al N C:Gly249 3.87 Al C C:Gly249 4.68 Al CA C:Gly249 4.38 Al N C:Thr250 4.05 Al CB C:Thr250 4.73 Al C C:Thr250 4.93 Al CA C:Thr250 4.80 Al O C:Thr251 4.48 Al N C:Thr251 4.05 Al CB C:Thr251 4.43 Al OG1 C:Thr251 4.27 Al CA C:Thr251 4.78 Al N C:Gly273 4.12 Al CA C:Gly273 4.64 Al F4 C:Alf601 1.77 Al F3 C:Alf601 1.76 Al F2 C:Alf601 1.77 Al AL C:Alf601 0.00 Al F1 C:Alf601 1.79 Al MG C:Mg602 3.32 Al RB C:Rb603 3.73 Al O3B C:Gdp600 3.56 Al O2A C:Gdp600 4.96 Al O1B C:Gdp600 3.92 Al PB C:Gdp600 3.28 Al O2B C:Gdp600 1.92 Al O3A C:Gdp600 4.49 Al O C:Hoh1 4.31 Al O C:Hoh2 1.99 Al O C:Hoh4 3.87 Al O C:Hoh5 4.15 interactive model: Aluminium binding site 4 out of 4 in 2gj9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Aluminium in the PDB 2gj9. 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: D: Pro225, D: Asn226, D: Lys229, D: Ile247, D: Ala248, D: Gly249, D: Thr250, D: Thr251, D: Gly273, D: Alf701, D: Mg702, D: Rb703, D: Gdp700, D: Hoh6, D: Hoh7, conact list: Atom Atom Distance (A) Al CB D:Pro225 4.61 Al C D:Pro225 4.75 Al CA D:Pro225 4.33 Al N D:Asn226 4.04 Al CA D:Asn226 4.93 Al CE D:Lys229 4.79 Al NZ D:Lys229 4.17 Al O D:Ile247 4.93 Al C D:Ala248 4.92 Al N D:Gly249 3.90 Al C D:Gly249 4.72 Al CA D:Gly249 4.40 Al N D:Thr250 4.14 Al CB D:Thr250 4.76 Al C D:Thr250 5.00 Al CA D:Thr250 4.86 Al O D:Thr251 4.57 Al N D:Thr251 4.12 Al CB D:Thr251 4.44 Al OG1 D:Thr251 4.28 Al CA D:Thr251 4.84 Al N D:Gly273 4.10 Al CA D:Gly273 4.62 Al F4 D:Alf701 1.75 Al F3 D:Alf701 1.76 Al F2 D:Alf701 1.75 Al AL D:Alf701 0.00 Al F1 D:Alf701 1.78 Al MG D:Mg702 3.47 Al RB D:Rb703 3.76 Al O3B D:Gdp700 3.68 Al O1B D:Gdp700 4.05 Al PB D:Gdp700 3.30 Al O2B D:Gdp700 1.97 Al O3A D:Gdp700 4.49 Al O D:Hoh6 4.34 Al O D:Hoh7 1.97 interactive model: