Aluminium in the structure of Crystal Structure of Groel-Groes (pdb 1pcq)

The binding sites of Aluminium atom in the structure of Crystal Structure of Groel-Groes (pdb code 1pcq). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 1pcq structure was solved by C.CHAUDHRY, G.W.FARR, M.J.TODD, H.S.RYE, A.T.BRUNGER, P.D.ADAMS, A.L.HORWICH, P.B.SIGLER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 49.4-2.8 Space group P21212 a (A) 255.546 b (A) 266.855 c (A) 187.049 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 26.2 Rfree (%) 27.8 Aluminium Binding Sites: Aluminium binding site 1 out of 7 in 1pcq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 1pcq. 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: Asp52, A: Gly53, A: Asp87, A: Gly88, A: Thr89, A: Thr90, A: Asp398, A: Mg601, A: K603, A: Adp600, A: Af3602, conact list: Atom Atom Distance (A) Al OD1 A:Asp52 4.04 Al CA A:Asp52 4.80 Al N A:Gly53 4.19 Al CA A:Gly53 4.97 Al C A:Asp87 4.67 Al OD1 A:Asp87 3.14 Al CG A:Asp87 4.30 Al CA A:Asp87 4.63 Al N A:Gly88 3.99 Al C A:Gly88 4.81 Al CA A:Gly88 4.72 Al N A:Thr89 4.16 Al CB A:Thr89 4.59 Al CG2 A:Thr89 4.95 Al OG1 A:Thr89 3.32 Al CA A:Thr89 4.86 Al N A:Thr90 4.28 Al CB A:Thr90 4.82 Al OG1 A:Thr90 4.26 Al OD2 A:Asp398 3.94 Al MG A:Mg601 3.55 Al K A:K603 3.92 Al O3B A:Adp600 2.02 Al PA A:Adp600 4.44 Al O2A A:Adp600 3.72 Al O1B A:Adp600 3.13 Al PB A:Adp600 3.04 Al O2B A:Adp600 4.35 Al O3A A:Adp600 3.74 Al F3 A:Af3602 1.80 Al F2 A:Af3602 1.85 Al AL A:Af3602 0.00 Al F1 A:Af3602 1.83 interactive model: Aluminium binding site 2 out of 7 in 1pcq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 1pcq. 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: Asp52, B: Gly53, B: Asp87, B: Gly88, B: Thr89, B: Thr90, B: Asp398, B: Mg701, B: K703, B: Adp700, B: Af3702, conact list: Atom Atom Distance (A) Al C B:Asp52 4.99 Al OD1 B:Asp52 4.03 Al CA B:Asp52 4.82 Al N B:Gly53 4.17 Al CA B:Gly53 4.93 Al C B:Asp87 4.67 Al OD1 B:Asp87 3.15 Al CG B:Asp87 4.35 Al CA B:Asp87 4.69 Al N B:Gly88 3.94 Al C B:Gly88 4.80 Al CA B:Gly88 4.69 Al N B:Thr89 4.14 Al CB B:Thr89 4.59 Al CG2 B:Thr89 4.99 Al OG1 B:Thr89 3.31 Al CA B:Thr89 4.83 Al N B:Thr90 4.27 Al CB B:Thr90 4.75 Al OG1 B:Thr90 4.08 Al OD2 B:Asp398 3.85 Al MG B:Mg701 3.63 Al K B:K703 3.84 Al O3B B:Adp700 2.04 Al PA B:Adp700 4.44 Al O2A B:Adp700 3.77 Al O1B B:Adp700 3.10 Al PB B:Adp700 3.04 Al O2B B:Adp700 4.35 Al O3A B:Adp700 3.75 Al F3 B:Af3702 1.80 Al F2 B:Af3702 1.83 Al AL B:Af3702 0.00 Al F1 B:Af3702 1.85 interactive model: Aluminium binding site 3 out of 7 in 1pcq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Aluminium in the PDB 1pcq. 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: Asp52, C: Gly53, C: Asp87, C: Gly88, C: Thr89, C: Thr90, C: Asp398, C: Mg801, C: K803, C: Adp800, C: Af3802, conact list: Atom Atom Distance (A) Al C C:Asp52 4.94 Al OD1 C:Asp52 3.96 Al CA C:Asp52 4.74 Al N C:Gly53 4.14 Al CA C:Gly53 4.96 Al C C:Asp87 4.75 Al OD1 C:Asp87 3.21 Al CG C:Asp87 4.39 Al CA C:Asp87 4.73 Al N C:Gly88 4.06 Al C C:Gly88 4.93 Al CA C:Gly88 4.82 Al N C:Thr89 4.28 Al CB C:Thr89 4.65 Al OG1 C:Thr89 3.36 Al CA C:Thr89 4.95 Al N C:Thr90 4.39 Al CB C:Thr90 4.79 Al OG1 C:Thr90 4.10 Al OD2 C:Asp398 3.78 Al CG C:Asp398 4.97 Al MG C:Mg801 3.62 Al K C:K803 3.84 Al O3B C:Adp800 2.13 Al PA C:Adp800 4.40 Al O2A C:Adp800 3.74 Al O1B C:Adp800 3.15 Al PB C:Adp800 3.08 Al O2B C:Adp800 4.43 Al O3A C:Adp800 3.71 Al F3 C:Af3802 1.81 Al F2 C:Af3802 1.84 Al AL C:Af3802 0.00 Al F1 C:Af3802 1.84 interactive model: Aluminium binding site 4 out of 7 in 1pcq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Aluminium in the PDB 1pcq. 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: D: Asp52, D: Gly53, D: Asp87, D: Gly88, D: Thr89, D: Thr90, D: Asp398, D: Mg901, D: K903, D: Adp900, D: Af3902, conact list: Atom Atom Distance (A) Al C D:Asp52 4.91 Al OD1 D:Asp52 3.90 Al CA D:Asp52 4.73 Al N D:Gly53 4.12 Al CA D:Gly53 4.90 Al C D:Asp87 4.69 Al OD1 D:Asp87 3.24 Al CG D:Asp87 4.36 Al CA D:Asp87 4.69 Al N D:Gly88 3.99 Al C D:Gly88 4.87 Al CA D:Gly88 4.78 Al N D:Thr89 4.23 Al CB D:Thr89 4.57 Al CG2 D:Thr89 4.99 Al OG1 D:Thr89 3.27 Al CA D:Thr89 4.86 Al N D:Thr90 4.26 Al CB D:Thr90 4.82 Al OG1 D:Thr90 4.17 Al OD2 D:Asp398 3.87 Al MG D:Mg901 3.65 Al K D:K903 3.90 Al O3B D:Adp900 2.09 Al PA D:Adp900 4.45 Al O2A D:Adp900 3.77 Al O1B D:Adp900 3.18 Al PB D:Adp900 3.13 Al O2B D:Adp900 4.41 Al O3A D:Adp900 3.86 Al F3 D:Af3902 1.81 Al F2 D:Af3902 1.84 Al AL D:Af3902 0.00 Al F1 D:Af3902 1.85 interactive model: Aluminium binding site 5 out of 7 in 1pcq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Aluminium in the PDB 1pcq. 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: E: Asp52, E: Gly53, E: Asp87, E: Gly88, E: Thr89, E: Thr90, E: Asp398, E: Mg1001, E: K1003, E: Adp1000, E: Af31002, conact list: Atom Atom Distance (A) Al C E:Asp52 4.96 Al OD1 E:Asp52 3.97 Al CA E:Asp52 4.78 Al N E:Gly53 4.16 Al CA E:Gly53 4.91 Al C E:Asp87 4.73 Al OD1 E:Asp87 3.17 Al CG E:Asp87 4.35 Al CA E:Asp87 4.70 Al N E:Gly88 4.01 Al C E:Gly88 4.86 Al CA E:Gly88 4.74 Al N E:Thr89 4.21 Al CB E:Thr89 4.57 Al CG2 E:Thr89 5.00 Al OG1 E:Thr89 3.28 Al CA E:Thr89 4.87 Al N E:Thr90 4.34 Al CB E:Thr90 4.78 Al OG1 E:Thr90 4.12 Al OD2 E:Asp398 3.83 Al MG E:Mg1001 3.64 Al K E:K1003 3.77 Al O3B E:Adp1000 2.10 Al PA E:Adp1000 4.42 Al O2A E:Adp1000 3.75 Al O1B E:Adp1000 3.21 Al PB E:Adp1000 3.11 Al O2B E:Adp1000 4.39 Al O3A E:Adp1000 3.74 Al F3 E:Af31002 1.81 Al F2 E:Af31002 1.82 Al AL E:Af31002 0.00 Al F1 E:Af31002 1.84 interactive model: Aluminium binding site 6 out of 7 in 1pcq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Aluminium in the PDB 1pcq. 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: F: Asp52, F: Gly53, F: Asp87, F: Gly88, F: Thr89, F: Thr90, F: Asp398, F: Mg1101, F: K1103, F: Adp1100, F: Af31102, conact list: Atom Atom Distance (A) Al C F:Asp52 5.00 Al OD1 F:Asp52 3.96 Al CA F:Asp52 4.81 Al N F:Gly53 4.20 Al CA F:Gly53 4.97 Al C F:Asp87 4.71 Al OD1 F:Asp87 3.18 Al CG F:Asp87 4.34 Al CA F:Asp87 4.66 Al N F:Gly88 4.03 Al C F:Gly88 4.91 Al CA F:Gly88 4.79 Al N F:Thr89 4.23 Al CB F:Thr89 4.53 Al CG2 F:Thr89 4.96 Al OG1 F:Thr89 3.23 Al CA F:Thr89 4.86 Al N F:Thr90 4.33 Al CB F:Thr90 4.81 Al OG1 F:Thr90 4.23 Al OD2 F:Asp398 3.86 Al MG F:Mg1101 3.58 Al K F:K1103 3.80 Al O3B F:Adp1100 2.16 Al PA F:Adp1100 4.46 Al O2A F:Adp1100 3.75 Al O1B F:Adp1100 3.24 Al PB F:Adp1100 3.15 Al O2B F:Adp1100 4.43 Al O3A F:Adp1100 3.80 Al F3 F:Af31102 1.81 Al F2 F:Af31102 1.82 Al AL F:Af31102 0.00 Al F1 F:Af31102 1.84 interactive model: Aluminium binding site 7 out of 7 in 1pcq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Aluminium in the PDB 1pcq. 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: G: Asp52, G: Gly53, G: Asp87, G: Gly88, G: Thr89, G: Thr90, G: Asp398, G: Mg1201, G: K1203, G: Adp1200, G: Af31202, conact list: Atom Atom Distance (A) Al OD1 G:Asp52 3.92 Al CA G:Asp52 4.81 Al N G:Gly53 4.23 Al CA G:Gly53 4.98 Al C G:Asp87 4.70 Al OD1 G:Asp87 3.21 Al CG G:Asp87 4.39 Al CA G:Asp87 4.69 Al N G:Gly88 4.02 Al C G:Gly88 4.85 Al CA G:Gly88 4.78 Al N G:Thr89 4.22 Al CB G:Thr89 4.59 Al CG2 G:Thr89 4.93 Al OG1 G:Thr89 3.33 Al CA G:Thr89 4.87 Al N G:Thr90 4.32 Al CB G:Thr90 4.81 Al OG1 G:Thr90 4.08 Al OD2 G:Asp398 3.86 Al MG G:Mg1201 3.56 Al K G:K1203 3.80 Al O3B G:Adp1200 2.13 Al PA G:Adp1200 4.42 Al O2A G:Adp1200 3.74 Al O1B G:Adp1200 3.20 Al PB G:Adp1200 3.11 Al O2B G:Adp1200 4.41 Al O3A G:Adp1200 3.75 Al F3 G:Af31202 1.81 Al F2 G:Af31202 1.83 Al AL G:Af31202 0.00 Al F1 G:Af31202 1.84 interactive model: