Aluminium in the structure of GDPALF4 Complex of the Srp Gtpases Ffh and Ftsy (pdb 2cnw)

The binding sites of Aluminium atom in the structure of GDPALF4 Complex of the Srp Gtpases Ffh and Ftsy (pdb code 2cnw). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 2cnw structure was solved by P.J.FOCIA, J.GAWRONSKI-SALERNO, J.S.COON V, D.M.FREYMANN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 14.7-2.4 Space group P32 a (A) 188.686 b (A) 188.686 c (A) 44.588 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18.3 Rfree (%) 25.3 Aluminium Binding Sites: Aluminium binding site 1 out of 6 in 2cnw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 2cnw. 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: Gln107, A: Gly108, A: Lys111, A: Asp135, A: Arg138, A: Ala189, A: Gly190, A: Gdp1001, A: Mg1002, A: Alf1007, D: Gdp1001, A: Hoh2038, A: Hoh2048, A: Hoh2058, A: Hoh2085, D: Hoh2085, conact list: Atom Atom Distance (A) Al C A:Gln107 4.89 Al CA A:Gln107 4.84 Al N A:Gly108 3.91 Al CA A:Gly108 4.54 Al CE A:Lys111 4.50 Al NZ A:Lys111 3.95 Al OD2 A:Asp135 4.09 Al CD A:Arg138 4.12 Al CZ A:Arg138 4.80 Al NE A:Arg138 4.92 Al NH1 A:Arg138 3.81 Al C A:Ala189 4.83 Al CA A:Ala189 4.88 Al N A:Gly190 3.84 Al CA A:Gly190 4.46 Al O3B A:Gdp1001 3.55 Al O1B A:Gdp1001 3.93 Al PB A:Gdp1001 3.17 Al O2B A:Gdp1001 1.87 Al O3A A:Gdp1001 4.33 Al MG A:Mg1002 3.35 Al F4 A:Alf1007 1.78 Al F3 A:Alf1007 1.77 Al F2 A:Alf1007 1.78 Al AL A:Alf1007 0.00 Al F1 A:Alf1007 1.77 Al C3' D:Gdp1001 4.73 Al O3' D:Gdp1001 3.87 Al C4' D:Gdp1001 4.81 Al O A:Hoh2038 4.41 Al O A:Hoh2048 1.97 Al O A:Hoh2058 4.36 Al O A:Hoh2085 3.60 Al O D:Hoh2085 4.29 interactive model: Aluminium binding site 2 out of 6 in 2cnw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 2cnw. 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: Gln107, B: Gly108, B: Lys111, B: Asp135, B: Arg138, B: Ala189, B: Gly190, B: Gdp1001, B: Mg1002, B: Alf1007, E: Gdp1001, B: Hoh2027, B: Hoh2036, B: Hoh2046, B: Hoh2064, E: Hoh2089, conact list: Atom Atom Distance (A) Al C B:Gln107 4.90 Al CA B:Gln107 4.72 Al N B:Gly108 4.00 Al CA B:Gly108 4.74 Al CE B:Lys111 4.42 Al NZ B:Lys111 3.93 Al OD2 B:Asp135 4.13 Al CD B:Arg138 4.29 Al CZ B:Arg138 4.87 Al NH1 B:Arg138 3.84 Al C B:Ala189 4.90 Al CA B:Ala189 4.99 Al N B:Gly190 3.88 Al CA B:Gly190 4.43 Al O3B B:Gdp1001 3.52 Al O1B B:Gdp1001 3.75 Al PB B:Gdp1001 3.08 Al O2B B:Gdp1001 1.87 Al O3A B:Gdp1001 4.32 Al MG B:Mg1002 3.37 Al F4 B:Alf1007 1.78 Al F3 B:Alf1007 1.77 Al F2 B:Alf1007 1.77 Al AL B:Alf1007 0.00 Al F1 B:Alf1007 1.77 Al C3' E:Gdp1001 4.85 Al O3' E:Gdp1001 3.89 Al C4' E:Gdp1001 4.85 Al O B:Hoh2027 4.42 Al O B:Hoh2036 2.01 Al O B:Hoh2046 4.29 Al O B:Hoh2064 3.75 Al O E:Hoh2089 4.43 interactive model: Aluminium binding site 3 out of 6 in 2cnw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Aluminium in the PDB 2cnw. 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: Gln107, C: Gly108, C: Lys111, C: Asp135, C: Arg138, C: Ala189, C: Gly190, C: Gdp1001, C: Mg1002, C: Alf1007, F: Gdp1001, C: Hoh2053, C: Hoh2054, C: Hoh2082, C: Hoh2117, F: Hoh2064, conact list: Atom Atom Distance (A) Al C C:Gln107 4.81 Al CA C:Gln107 4.71 Al N C:Gly108 3.86 Al CA C:Gly108 4.51 Al CE C:Lys111 4.58 Al NZ C:Lys111 3.90 Al OD2 C:Asp135 4.18 Al CD C:Arg138 4.24 Al CZ C:Arg138 4.83 Al NE C:Arg138 4.99 Al NH1 C:Arg138 3.82 Al C C:Ala189 4.90 Al CA C:Ala189 4.93 Al N C:Gly190 3.87 Al CA C:Gly190 4.45 Al O3B C:Gdp1001 3.44 Al O1B C:Gdp1001 3.76 Al PB C:Gdp1001 3.07 Al O2B C:Gdp1001 1.87 Al O3A C:Gdp1001 4.31 Al MG C:Mg1002 3.33 Al F4 C:Alf1007 1.77 Al F3 C:Alf1007 1.78 Al F2 C:Alf1007 1.79 Al AL C:Alf1007 0.00 Al F1 C:Alf1007 1.77 Al C3' F:Gdp1001 4.95 Al O3' F:Gdp1001 3.98 Al C4' F:Gdp1001 4.95 Al O C:Hoh2053 4.24 Al O C:Hoh2054 1.90 Al O C:Hoh2082 3.76 Al O C:Hoh2117 4.18 Al O F:Hoh2064 4.44 interactive model: Aluminium binding site 4 out of 6 in 2cnw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Aluminium in the PDB 2cnw. 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: Asn111, D: Gly112, D: Lys115, D: Asp139, D: Arg142, D: Ala193, D: Gly194, A: Gdp1001, D: Gdp1001, D: Mg1002, D: Alf1007, A: Hoh2117, D: Hoh2033, D: Hoh2035, D: Hoh2057, D: Hoh2098, D: Hoh2099, conact list: Atom Atom Distance (A) Al C D:Asn111 4.99 Al CA D:Asn111 4.79 Al N D:Gly112 4.08 Al CA D:Gly112 4.76 Al CE D:Lys115 4.92 Al NZ D:Lys115 4.11 Al OD2 D:Asp139 4.01 Al CD D:Arg142 4.72 Al NH1 D:Arg142 4.00 Al C D:Ala193 4.89 Al N D:Gly194 3.78 Al CA D:Gly194 4.14 Al C3' A:Gdp1001 4.71 Al O3' A:Gdp1001 3.70 Al C4' A:Gdp1001 4.82 Al O3B D:Gdp1001 3.33 Al O2A D:Gdp1001 4.99 Al O1B D:Gdp1001 3.88 Al PB D:Gdp1001 3.08 Al O2B D:Gdp1001 1.94 Al O3A D:Gdp1001 4.31 Al MG D:Mg1002 3.43 Al F4 D:Alf1007 1.78 Al F3 D:Alf1007 1.79 Al F2 D:Alf1007 1.77 Al AL D:Alf1007 0.00 Al F1 D:Alf1007 1.77 Al O A:Hoh2117 4.42 Al O D:Hoh2033 2.01 Al O D:Hoh2035 4.33 Al O D:Hoh2057 3.73 Al O D:Hoh2098 4.28 Al O D:Hoh2099 3.85 interactive model: Aluminium binding site 5 out of 6 in 2cnw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Aluminium in the PDB 2cnw. 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: Asn111, E: Gly112, E: Lys115, E: Asp139, E: Arg142, E: Ala193, E: Gly194, B: Gdp1001, E: Gdp1001, E: Mg1002, E: Alf1007, B: Hoh2040, B: Hoh2093, E: Hoh2030, E: Hoh2031, E: Hoh2056, E: Hoh2094, conact list: Atom Atom Distance (A) Al ND2 E:Asn111 4.76 Al C E:Asn111 4.86 Al CA E:Asn111 4.75 Al N E:Gly112 3.94 Al CA E:Gly112 4.62 Al CE E:Lys115 4.92 Al NZ E:Lys115 4.10 Al OD2 E:Asp139 4.02 Al CG E:Asp139 4.96 Al CD E:Arg142 4.82 Al CZ E:Arg142 4.95 Al NH1 E:Arg142 3.75 Al C E:Ala193 4.89 Al N E:Gly194 3.74 Al CA E:Gly194 4.09 Al C3' B:Gdp1001 4.60 Al O3' B:Gdp1001 3.62 Al C4' B:Gdp1001 4.86 Al O3B E:Gdp1001 3.58 Al O1B E:Gdp1001 3.87 Al PB E:Gdp1001 3.16 Al O2B E:Gdp1001 1.85 Al O3A E:Gdp1001 4.33 Al MG E:Mg1002 3.51 Al F4 E:Alf1007 1.78 Al F3 E:Alf1007 1.79 Al F2 E:Alf1007 1.78 Al AL E:Alf1007 0.00 Al F1 E:Alf1007 1.78 Al O B:Hoh2040 3.95 Al O B:Hoh2093 4.22 Al O E:Hoh2030 4.34 Al O E:Hoh2031 1.79 Al O E:Hoh2056 3.73 Al O E:Hoh2094 4.34 interactive model: Aluminium binding site 6 out of 6 in 2cnw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Aluminium in the PDB 2cnw. 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: Asn111, F: Gly112, F: Lys115, F: Asp139, F: Arg142, F: Ala193, F: Gly194, C: Gdp1001, F: Gdp1001, F: Mg1002, F: Alf1007, C: Hoh2109, F: Hoh2027, F: Hoh2028, F: Hoh2046, F: Hoh2069, F: Hoh2071, conact list: Atom Atom Distance (A) Al ND2 F:Asn111 4.83 Al C F:Asn111 4.84 Al CA F:Asn111 4.70 Al N F:Gly112 3.91 Al CA F:Gly112 4.62 Al CE F:Lys115 4.86 Al NZ F:Lys115 3.93 Al OD2 F:Asp139 4.08 Al CD F:Arg142 4.76 Al CZ F:Arg142 4.86 Al NH1 F:Arg142 3.66 Al C F:Ala193 4.97 Al N F:Gly194 3.88 Al CA F:Gly194 4.28 Al C3' C:Gdp1001 4.48 Al O3' C:Gdp1001 3.59 Al C4' C:Gdp1001 4.72 Al O3B F:Gdp1001 3.47 Al O1B F:Gdp1001 4.03 Al PB F:Gdp1001 3.14 Al O2B F:Gdp1001 1.86 Al O3A F:Gdp1001 4.27 Al MG F:Mg1002 3.47 Al F4 F:Alf1007 1.78 Al F3 F:Alf1007 1.79 Al F2 F:Alf1007 1.78 Al AL F:Alf1007 0.00 Al F1 F:Alf1007 1.76 Al O C:Hoh2109 4.31 Al O F:Hoh2027 4.27 Al O F:Hoh2028 2.00 Al O F:Hoh2046 3.91 Al O F:Hoh2069 3.87 Al O F:Hoh2071 4.19 interactive model: