Aluminium in the structure of Crystal-Structure Of the N-Terminal Large Gtpase Domain of Human Guanylate Binding Protein 1 (HGBP1) in Complex With Gmp/ALF4 (pdb 2b8w)

The binding sites of Aluminium atom in the structure of Crystal-Structure Of the N-Terminal Large Gtpase Domain of Human Guanylate Binding Protein 1 (HGBP1) in Complex With Gmp/ALF4 (pdb code 2b8w). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 2b8w structure was solved by A.GHOSH, G.J.K.PRAEFCKE, L.RENAULT, A.WITTINGHOFER, C.HERRMANN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.8-2.2 Space group P212121 a (A) 149.617 b (A) 101.927 c (A) 54.121 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19 Rfree (%) 23.3 Aluminium Binding Sites: Aluminium binding site 1 out of 2 in 2b8w Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 2b8w. 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: Tyr47, A: Arg48, A: Lys51, A: Ser73, A: His74, A: Thr75, A: Gly100, A: Mg595, A: Alf594, A: 5gp593, A: Hoh602, A: Hoh607, A: Hoh633, A: Hoh647, conact list: Atom Atom Distance (A) Al CB A:Tyr47 4.33 Al C A:Tyr47 4.71 Al CA A:Tyr47 4.41 Al N A:Arg48 3.93 Al CZ A:Arg48 4.40 Al NE A:Arg48 4.03 Al NH2 A:Arg48 3.80 Al CA A:Arg48 4.79 Al CE A:Lys51 4.96 Al NZ A:Lys51 4.22 Al CB A:Ser73 4.83 Al C A:Ser73 4.84 Al CA A:Ser73 4.63 Al N A:His74 3.97 Al CB A:His74 4.91 Al C A:His74 4.84 Al CA A:His74 4.77 Al O A:Thr75 4.53 Al N A:Thr75 3.99 Al CB A:Thr75 4.33 Al OG1 A:Thr75 4.22 Al CA A:Thr75 4.68 Al N A:Gly100 4.08 Al CA A:Gly100 4.45 Al MG A:Mg595 3.37 Al F4 A:Alf594 1.78 Al F3 A:Alf594 1.78 Al F2 A:Alf594 1.78 Al AL A:Alf594 0.00 Al F1 A:Alf594 1.78 Al P A:5gp593 3.29 Al O3P A:5gp593 4.00 Al C5' A:5gp593 4.93 Al O1P A:5gp593 3.81 Al O5' A:5gp593 4.43 Al O2P A:5gp593 1.86 Al O A:Hoh602 1.99 Al O A:Hoh607 4.28 Al O A:Hoh633 4.30 Al O A:Hoh647 4.23 interactive model: Aluminium binding site 2 out of 2 in 2b8w Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 2b8w. 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: Tyr47, B: Arg48, B: Lys51, B: Ser73, B: His74, B: Thr75, B: Gly100, B: Mg595, B: Alf594, B: 5gp593, B: Hoh599, B: Hoh649, B: Hoh663, B: Hoh671, conact list: Atom Atom Distance (A) Al CB B:Tyr47 4.39 Al C B:Tyr47 4.80 Al CA B:Tyr47 4.50 Al N B:Arg48 3.99 Al CZ B:Arg48 4.39 Al NE B:Arg48 4.02 Al NH2 B:Arg48 3.79 Al CA B:Arg48 4.83 Al NZ B:Lys51 4.31 Al CB B:Ser73 4.86 Al C B:Ser73 4.78 Al CA B:Ser73 4.57 Al N B:His74 3.92 Al CB B:His74 4.93 Al C B:His74 4.80 Al CA B:His74 4.73 Al O B:Thr75 4.51 Al N B:Thr75 3.90 Al CB B:Thr75 4.28 Al OG1 B:Thr75 4.24 Al CA B:Thr75 4.61 Al N B:Gly100 4.12 Al CA B:Gly100 4.51 Al MG B:Mg595 3.37 Al F4 B:Alf594 1.78 Al F3 B:Alf594 1.78 Al F2 B:Alf594 1.78 Al AL B:Alf594 0.00 Al F1 B:Alf594 1.78 Al P B:5gp593 3.27 Al O3P B:5gp593 4.01 Al C5' B:5gp593 4.93 Al O1P B:5gp593 3.76 Al O5' B:5gp593 4.41 Al O2P B:5gp593 1.85 Al O B:Hoh599 1.98 Al O B:Hoh649 4.43 Al O B:Hoh663 4.17 Al O B:Hoh671 3.93 interactive model: