Aluminium in the structure of Structure of P97/Vcp in Complex With Adp/Adp.Alfx (pdb 3cf1)

The binding sites of Aluminium atom in the structure of Structure of P97/Vcp in Complex With Adp/Adp.Alfx (pdb code 3cf1). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 3cf1 structure was solved by J.M.DAVIES, B.DELABARRE, A.T.BRUNGER, W.I.WEIS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.9-4.4 Space group I222 a (A) 162.660 b (A) 178.020 c (A) 321.140 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.9 Rfree (%) 28.6 Aluminium Binding Sites: Aluminium binding site 1 out of 3 in 3cf1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 3cf1. 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: Pro519, A: Pro520, A: Gly521, A: Cys522, A: Gly523, A: Lys524, A: Thr525, A: Adp900, A: Af3915, conact list: Atom Atom Distance (A) Al O A:Pro519 4.53 Al N A:Pro520 4.96 Al C A:Pro520 4.41 Al CA A:Pro520 4.13 Al N A:Gly521 4.12 Al N A:Cys522 4.17 Al CB A:Cys522 4.99 Al C A:Cys522 4.65 Al CA A:Cys522 4.86 Al N A:Gly523 4.55 Al C A:Gly523 4.81 Al CA A:Gly523 4.99 Al N A:Lys524 3.79 Al CB A:Lys524 3.63 Al CE A:Lys524 4.80 Al CD A:Lys524 3.86 Al CG A:Lys524 3.75 Al CA A:Lys524 4.33 Al NZ A:Lys524 4.57 Al N A:Thr525 4.79 Al O3B A:Adp900 2.42 Al O1B A:Adp900 3.49 Al PB A:Adp900 2.58 Al O2B A:Adp900 1.84 Al O3A A:Adp900 3.84 Al F3 A:Af3915 1.86 Al F2 A:Af3915 1.85 Al AL A:Af3915 0.00 Al F1 A:Af3915 1.86 interactive model: Aluminium binding site 2 out of 3 in 3cf1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 3cf1. 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: Pro519, B: Pro520, B: Gly521, B: Cys522, B: Gly523, B: Lys524, B: Adp900, B: Af3915, conact list: Atom Atom Distance (A) Al O B:Pro519 3.67 Al C B:Pro519 4.31 Al O B:Pro520 4.43 Al N B:Pro520 4.22 Al CB B:Pro520 4.50 Al C B:Pro520 3.44 Al CA B:Pro520 3.37 Al N B:Gly521 3.00 Al C B:Gly521 4.28 Al CA B:Gly521 3.89 Al N B:Cys522 3.60 Al CB B:Cys522 4.80 Al C B:Cys522 4.91 Al CA B:Cys522 4.62 Al N B:Gly523 4.68 Al N B:Lys524 4.46 Al CB B:Lys524 4.25 Al CE B:Lys524 3.39 Al CD B:Lys524 4.29 Al CG B:Lys524 4.12 Al CA B:Lys524 5.00 Al NZ B:Lys524 3.61 Al O3B B:Adp900 3.04 Al O1B B:Adp900 3.23 Al PB B:Adp900 3.00 Al O2B B:Adp900 2.38 Al O3A B:Adp900 4.50 Al F3 B:Af3915 1.85 Al F2 B:Af3915 1.85 Al AL B:Af3915 0.00 Al F1 B:Af3915 1.85 interactive model: Aluminium binding site 3 out of 3 in 3cf1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Aluminium in the PDB 3cf1. 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: Pro519, C: Pro520, C: Gly521, C: Cys522, C: Gly523, C: Lys524, C: Adp900, C: Af3915, conact list: Atom Atom Distance (A) Al O C:Pro519 4.77 Al N C:Pro520 4.93 Al CB C:Pro520 4.91 Al C C:Pro520 4.47 Al CA C:Pro520 4.08 Al N C:Gly521 3.84 Al C C:Gly521 4.79 Al CA C:Gly521 4.83 Al N C:Cys522 4.27 Al CB C:Cys522 4.52 Al C C:Cys522 4.82 Al CA C:Cys522 4.81 Al N C:Gly523 3.88 Al C C:Gly523 4.60 Al CA C:Gly523 4.44 Al N C:Lys524 3.89 Al CB C:Lys524 4.21 Al CE C:Lys524 4.77 Al CD C:Lys524 4.11 Al CG C:Lys524 4.11 Al CA C:Lys524 4.69 Al NZ C:Lys524 4.37 Al O3B C:Adp900 2.32 Al O1B C:Adp900 3.12 Al PB C:Adp900 2.41 Al O2B C:Adp900 1.77 Al O3A C:Adp900 3.81 Al F3 C:Af3915 1.85 Al F2 C:Af3915 1.85 Al AL C:Af3915 0.00 Al F1 C:Af3915 1.86 interactive model: