Aluminium in the structure of Structure of Human Cytosolic Deoxyribonucleotidase in Complex With Deoxyuridine, ALF4 and MG2+ (pdb 2i7d)

The binding sites of Aluminium atom in the structure of Structure of Human Cytosolic Deoxyribonucleotidase in Complex With Deoxyuridine, ALF4 and MG2+ (pdb code 2i7d). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 2i7d structure was solved by A.RINALDO-MATTHIS, K.WALLDEN, P.NORDLUND, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.1-1.2 Space group P1 a (A) 39.623 b (A) 47.153 c (A) 62.384 alpha (°) 68.92 beta (°) 81.69 gamma (°) 74.99 Rfactor (%) 16.6 Rfree (%) 19.6 Aluminium Binding Sites: Aluminium binding site 1 out of 2 in 2i7d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 2i7d. 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: Asp10, A: Met11, A: Asp12, A: Thr99, A: Ser100, A: Lys134, A: Mg728, A: Alf400, A: Dur300, A: Hoh729, A: Hoh731, conact list: Atom Atom Distance (A) Al CB A:Asp10 4.44 Al OD2 A:Asp10 3.51 Al OD1 A:Asp10 2.07 Al CG A:Asp10 3.09 Al CA A:Asp10 4.88 Al N A:Met11 4.18 Al C A:Met11 4.82 Al CA A:Met11 4.87 Al O A:Asp12 4.54 Al N A:Asp12 3.95 Al CB A:Asp12 4.32 Al OD2 A:Asp12 3.95 Al CG A:Asp12 4.55 Al CA A:Asp12 4.64 Al CB A:Thr99 4.67 Al OG1 A:Thr99 3.87 Al C A:Thr99 4.98 Al CA A:Thr99 4.55 Al N A:Ser100 4.28 Al CE A:Lys134 4.83 Al NZ A:Lys134 3.80 Al MG A:Mg728 3.51 Al F4 A:Alf400 1.83 Al F3 A:Alf400 1.80 Al F2 A:Alf400 1.76 Al AL A:Alf400 0.00 Al F1 A:Alf400 1.79 Al C3' A:Dur300 3.14 Al C1' A:Dur300 4.77 Al O3' A:Dur300 2.07 Al C2' A:Dur300 3.72 Al C4' A:Dur300 4.48 Al O A:Hoh729 3.68 Al O A:Hoh731 4.67 interactive model: Aluminium binding site 2 out of 2 in 2i7d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 2i7d. 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: Asp10, B: Met11, B: Asp12, B: Thr99, B: Ser100, B: Lys134, B: Mg729, B: Alf401, B: Dur301, B: Hoh730, B: Hoh733, conact list: Atom Atom Distance (A) Al CB B:Asp10 4.41 Al OD2 B:Asp10 3.46 Al C B:Asp10 4.98 Al OD1 B:Asp10 2.03 Al CG B:Asp10 3.06 Al CA B:Asp10 4.85 Al N B:Met11 4.17 Al C B:Met11 4.84 Al CA B:Met11 4.89 Al O B:Asp12 4.56 Al N B:Asp12 3.97 Al CB B:Asp12 4.34 Al OD2 B:Asp12 3.97 Al CG B:Asp12 4.58 Al CA B:Asp12 4.66 Al CB B:Thr99 4.67 Al OG1 B:Thr99 3.89 Al C B:Thr99 4.98 Al CA B:Thr99 4.56 Al O B:Ser100 4.93 Al N B:Ser100 4.26 Al CE B:Lys134 4.89 Al NZ B:Lys134 3.87 Al MG B:Mg729 3.52 Al F4 B:Alf401 1.81 Al F3 B:Alf401 1.78 Al F2 B:Alf401 1.82 Al AL B:Alf401 0.00 Al F1 B:Alf401 1.80 Al C3' B:Dur301 3.10 Al C1' B:Dur301 4.74 Al O3' B:Dur301 2.01 Al C2' B:Dur301 3.66 Al C4' B:Dur301 4.43 Al O B:Hoh730 3.69 Al O B:Hoh733 4.72 interactive model: