Aluminium in the structure of The Crystal Structure of Ejc in Its Transition State (pdb 3ex7)

The binding sites of Aluminium atom in the structure of The Crystal Structure of Ejc in Its Transition State (pdb code 3ex7). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 3ex7 structure was solved by G.R.ANDERSEN, K.H.NIELSEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 39.1-2.3 Space group C121 a (A) 182.040 b (A) 100.750 c (A) 145.880 alpha (°) 90.00 beta (°) 112.08 gamma (°) 90.00 Rfactor (%) 20.6 Rfree (%) 25.1 Aluminium Binding Sites: Aluminium binding site 1 out of 2 in 3ex7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 3ex7. 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: Ser84, C: Gly85, C: Lys88, C: Glu188, C: Gly340, C: His363, C: Arg367, C: Arg370, C: Adp414, C: Af3415, C: Mg416, C: Hoh417, C: Hoh461, C: Hoh569, C: Hoh570, C: Hoh571, C: Hoh572, conact list: Atom Atom Distance (A) Al CB C:Ser84 4.15 Al C C:Ser84 4.52 Al CA C:Ser84 3.99 Al N C:Gly85 3.92 Al CA C:Gly85 4.96 Al NZ C:Lys88 4.14 Al OE1 C:Glu188 4.14 Al N C:Gly340 4.45 Al CA C:Gly340 4.44 Al ND1 C:His363 4.87 Al CZ C:Arg367 4.87 Al NH2 C:Arg367 4.06 Al NH1 C:Arg367 4.73 Al CZ C:Arg370 4.79 Al NH2 C:Arg370 4.44 Al NH1 C:Arg370 4.13 Al O3B C:Adp414 2.60 Al O1B C:Adp414 3.95 Al PB C:Adp414 3.65 Al O2B C:Adp414 4.24 Al F3 C:Af3415 1.78 Al F2 C:Af3415 1.78 Al AL C:Af3415 0.00 Al F1 C:Af3415 1.77 Al MG C:Mg416 3.84 Al O C:Hoh417 3.58 Al O C:Hoh461 2.86 Al O C:Hoh569 3.92 Al O C:Hoh570 4.73 Al O C:Hoh571 4.20 Al O C:Hoh572 4.56 interactive model: Aluminium binding site 2 out of 2 in 3ex7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 3ex7. 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: H: Ser84, H: Gly85, H: Lys88, H: Glu188, H: Ala219, H: Gly340, H: His363, H: Arg367, H: Arg370, H: Adp414, H: Af3415, H: Mg416, H: Hoh419, H: Hoh421, H: Hoh489, H: Hoh490, H: Hoh491, H: Hoh492, conact list: Atom Atom Distance (A) Al CB H:Ser84 4.17 Al C H:Ser84 4.73 Al CA H:Ser84 4.14 Al N H:Gly85 4.18 Al NZ H:Lys88 4.31 Al OE1 H:Glu188 4.25 Al CB H:Ala219 4.59 Al N H:Gly340 4.40 Al CA H:Gly340 4.39 Al ND1 H:His363 4.58 Al CE1 H:His363 4.95 Al CZ H:Arg367 4.87 Al NH2 H:Arg367 4.04 Al NH1 H:Arg367 4.73 Al NH2 H:Arg370 4.72 Al NH1 H:Arg370 4.47 Al O3B H:Adp414 2.92 Al O1B H:Adp414 4.30 Al PB H:Adp414 3.86 Al O2B H:Adp414 4.26 Al F3 H:Af3415 1.80 Al F2 H:Af3415 1.77 Al AL H:Af3415 0.00 Al F1 H:Af3415 1.77 Al MG H:Mg416 3.95 Al O H:Hoh419 3.52 Al O H:Hoh421 2.49 Al O H:Hoh489 3.52 Al O H:Hoh490 4.67 Al O H:Hoh491 4.43 Al O H:Hoh492 4.69 interactive model: