Aluminium in the structure of Adp-ALF4 Complex of S. Cerevisiae GET3 (pdb 2woj)

The binding sites of Aluminium atom in the structure of Adp-ALF4 Complex of S. Cerevisiae GET3 (pdb code 2woj). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 2woj structure was solved by A.MATEJA, A.SZLACHCIC, M.E.DOWNING, M.DOBOSZ, M.MARIAPPAN, R.S.HEGDE, R.J.KEENAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 37.4-2.0 Space group P1211 a (A) 53.612 b (A) 82.628 c (A) 167.282 alpha (°) 90.00 beta (°) 98.28 gamma (°) 90.00 Rfactor (%) 17.59 Rfree (%) 21.27 Aluminium Binding Sites: Aluminium binding site 1 out of 4 in 2woj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 2woj. 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: Gly27, A: Gly28, A: Lys31, A: Asp57, A: Asn61, A: Pro169, B: Lys26, B: Gly27, A: Adp401, A: Alf402, A: Mg403, A: Hoh2023, A: Hoh2025, A: Hoh2029, A: Hoh2066, A: Hoh2133, B: Hoh2101, conact list: Atom Atom Distance (A) Al C A:Gly27 4.83 Al CA A:Gly27 4.63 Al N A:Gly28 3.95 Al CA A:Gly28 4.67 Al CE A:Lys31 4.46 Al NZ A:Lys31 3.92 Al OD2 A:Asp57 3.88 Al ND2 A:Asn61 4.66 Al CD A:Pro169 4.79 Al CG A:Pro169 4.45 Al CE B:Lys26 4.28 Al CG B:Lys26 4.46 Al NZ B:Lys26 3.54 Al N B:Gly27 4.30 Al CA B:Gly27 4.40 Al O3B A:Adp401 4.00 Al O2A A:Adp401 4.85 Al O1B A:Adp401 1.93 Al PB A:Adp401 3.20 Al O2B A:Adp401 3.46 Al O3A A:Adp401 4.33 Al F4 A:Alf402 1.76 Al F3 A:Alf402 1.77 Al F2 A:Alf402 1.77 Al AL A:Alf402 0.00 Al F1 A:Alf402 1.73 Al MG A:Mg403 3.33 Al O A:Hoh2023 2.00 Al O A:Hoh2025 4.10 Al O A:Hoh2029 3.75 Al O A:Hoh2066 4.32 Al O A:Hoh2133 3.73 Al O B:Hoh2101 4.22 interactive model: Aluminium binding site 2 out of 4 in 2woj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 2woj. 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: Lys26, A: Gly27, B: Gly27, B: Gly28, B: Lys31, B: Asp57, B: Asn61, B: Pro169, B: Adp401, B: Alf402, B: Mg403, A: Hoh2090, A: Hoh2091, B: Hoh2031, B: Hoh2032, B: Hoh2078, B: Hoh2154, conact list: Atom Atom Distance (A) Al CE A:Lys26 4.29 Al CG A:Lys26 4.47 Al NZ A:Lys26 3.53 Al O A:Gly27 4.97 Al N A:Gly27 4.36 Al CA A:Gly27 4.50 Al C B:Gly27 4.88 Al CA B:Gly27 4.75 Al N B:Gly28 3.95 Al CA B:Gly28 4.60 Al CE B:Lys31 4.60 Al NZ B:Lys31 4.03 Al OD2 B:Asp57 3.87 Al ND2 B:Asn61 4.78 Al CD B:Pro169 4.92 Al CG B:Pro169 4.57 Al O3B B:Adp401 3.92 Al O2A B:Adp401 4.81 Al O1B B:Adp401 1.90 Al PB B:Adp401 3.19 Al O2B B:Adp401 3.45 Al O3A B:Adp401 4.34 Al F4 B:Alf402 1.76 Al F3 B:Alf402 1.77 Al F2 B:Alf402 1.75 Al AL B:Alf402 0.00 Al F1 B:Alf402 1.75 Al MG B:Mg403 3.32 Al O A:Hoh2090 3.67 Al O A:Hoh2091 4.27 Al O B:Hoh2031 4.20 Al O B:Hoh2032 1.97 Al O B:Hoh2078 4.34 Al O B:Hoh2154 3.70 interactive model: Aluminium binding site 3 out of 4 in 2woj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Aluminium in the PDB 2woj. 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: Gly27, C: Gly28, C: Lys31, C: Asp57, C: Asn61, C: Pro169, D: Lys26, D: Gly27, C: Adp401, C: Alf402, C: Mg403, C: Hoh2026, C: Hoh2027, C: Hoh2033, C: Hoh2034, C: Hoh2066, D: Hoh2065, conact list: Atom Atom Distance (A) Al C C:Gly27 4.87 Al CA C:Gly27 4.71 Al N C:Gly28 3.97 Al CA C:Gly28 4.67 Al CE C:Lys31 4.56 Al NZ C:Lys31 4.02 Al OD2 C:Asp57 3.85 Al ND2 C:Asn61 4.59 Al CD C:Pro169 4.77 Al CG C:Pro169 4.41 Al CE D:Lys26 4.30 Al CG D:Lys26 4.50 Al NZ D:Lys26 3.67 Al N D:Gly27 4.36 Al CA D:Gly27 4.39 Al O3B C:Adp401 3.91 Al O2A C:Adp401 4.83 Al O1B C:Adp401 1.94 Al PB C:Adp401 3.18 Al O2B C:Adp401 3.44 Al O3A C:Adp401 4.39 Al F4 C:Alf402 1.77 Al F3 C:Alf402 1.77 Al F2 C:Alf402 1.77 Al AL C:Alf402 0.00 Al F1 C:Alf402 1.74 Al MG C:Mg403 3.31 Al O C:Hoh2026 4.08 Al O C:Hoh2027 2.01 Al O C:Hoh2033 3.72 Al O C:Hoh2034 3.73 Al O C:Hoh2066 4.34 Al O D:Hoh2065 4.18 interactive model: Aluminium binding site 4 out of 4 in 2woj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Aluminium in the PDB 2woj. 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: Lys26, C: Gly27, D: Gly27, D: Gly28, D: Lys31, D: Asp57, D: Asn61, D: Pro169, D: Adp401, D: Alf402, D: Mg403, C: Hoh2080, D: Hoh2022, D: Hoh2023, D: Hoh2028, D: Hoh2029, D: Hoh2055, conact list: Atom Atom Distance (A) Al CE C:Lys26 4.35 Al CG C:Lys26 4.40 Al NZ C:Lys26 3.64 Al N C:Gly27 4.31 Al CA C:Gly27 4.44 Al C D:Gly27 4.93 Al CA D:Gly27 4.81 Al N D:Gly28 4.01 Al CA D:Gly28 4.64 Al CE D:Lys31 4.65 Al NZ D:Lys31 4.16 Al OD2 D:Asp57 3.86 Al ND2 D:Asn61 4.51 Al CD D:Pro169 4.82 Al CG D:Pro169 4.43 Al O3B D:Adp401 4.03 Al O2A D:Adp401 4.76 Al O1B D:Adp401 1.92 Al PB D:Adp401 3.26 Al O2B D:Adp401 3.62 Al O3A D:Adp401 4.36 Al F4 D:Alf402 1.76 Al F3 D:Alf402 1.77 Al F2 D:Alf402 1.77 Al AL D:Alf402 0.00 Al F1 D:Alf402 1.75 Al MG D:Mg403 3.30 Al O C:Hoh2080 4.15 Al O D:Hoh2022 4.13 Al O D:Hoh2023 1.98 Al O D:Hoh2028 3.72 Al O D:Hoh2029 3.61 Al O D:Hoh2055 4.33 interactive model: