The binding sites of Aluminium atom in the structure of Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride (pdb code 1e1r). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom.
The 1e1r structure was solved by K.BRAIG, R.I.MENZ, M.G.MONTGOMERY, A.G.W.LESLIE, J.E.WALKER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 20.0-2.5 | | Space group | P212121 | | a (A) | 278.600 | | b (A) | 106.700 | | c (A) | 137.900 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 21.8 | | Rfree (%) | 28.2 |
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Aluminium binding site 1 out of 1 in 1e1r
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 1e1r. 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: Ile343, C: Ser344, C: Arg373, D: Gly157, D: Ala158, D: Gly159, D: Lys162, D: Glu188, D: Arg189, D: Tyr311, D: Adp600, D: Mg601, D: Af3602, D: Hoh2050, D: Hoh2051, D: Hoh2052, D: Hoh2072, D: Hoh2143, | conact list:
| Atom | Atom | Distance (A) | | Al | O C:Ile343 | 4.98 | | Al | O C:Ser344 | 4.36 | | Al | CB C:Ser344 | 3.97 | | Al | C C:Ser344 | 4.62 | | Al | CA C:Ser344 | 3.96 | | Al | CZ C:Arg373 | 4.22 | | Al | NH2 C:Arg373 | 3.97 | | Al | NH1 C:Arg373 | 3.63 | | Al | O D:Gly157 | 4.66 | | Al | C D:Ala158 | 4.45 | | Al | CB D:Ala158 | 4.64 | | Al | CA D:Ala158 | 4.12 | | Al | N D:Gly159 | 3.78 | | Al | CA D:Gly159 | 4.64 | | Al | CE D:Lys162 | 4.78 | | Al | NZ D:Lys162 | 3.91 | | Al | OE1 D:Glu188 | 4.76 | | Al | CZ D:Arg189 | 4.71 | | Al | NH2 D:Arg189 | 4.25 | | Al | NH1 D:Arg189 | 4.14 | | Al | CD1 D:Tyr311 | 4.57 | | Al | CE1 D:Tyr311 | 4.66 | | Al | O3B D:Adp600 | 2.45 | | Al | O1B D:Adp600 | 4.57 | | Al | PB D:Adp600 | 3.65 | | Al | O2B D:Adp600 | 3.89 | | Al | O3A D:Adp600 | 4.70 | | Al | MG D:Mg601 | 3.98 | | Al | F3 D:Af3602 | 1.65 | | Al | F2 D:Af3602 | 1.67 | | Al | AL D:Af3602 | 0.00 | | Al | F1 D:Af3602 | 1.73 | | Al | O D:Hoh2050 | 3.60 | | Al | O D:Hoh2051 | 4.94 | | Al | O D:Hoh2052 | 3.11 | | Al | O D:Hoh2072 | 4.67 | | Al | O D:Hoh2143 | 4.85 |
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