Aluminium in the structure of Crystal Structure of the P115RHOGEF Rgrgs Domain in A Complex With Galpha(13):Galpha(I1) Chimera (pdb 1shz)

The binding sites of Aluminium atom in the structure of Crystal Structure of the P115RHOGEF Rgrgs Domain in A Complex With Galpha(13):Galpha(I1) Chimera (pdb code 1shz). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 1shz structure was solved by Z.CHEN, W.D.SINGER, P.C.STERNWEIS, S.R.SPRANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 46.5-2.9 Space group C121 a (A) 199.747 b (A) 105.274 c (A) 71.748 alpha (°) 90.00 beta (°) 96.91 gamma (°) 90.00 Rfactor (%) 22.9 Rfree (%) 29.7 Aluminium Binding Sites: Aluminium binding site 1 out of 2 in 1shz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 1shz. 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: Gly57, A: Glu58, A: Lys61, A: Arg200, A: Thr203, A: Val223, A: Gly224, A: Gly225, A: Gln226, A: Mg377, A: Alf378, A: Gdp475, A: Hoh543, conact list: Atom Atom Distance (A) Al C A:Gly57 4.70 Al CA A:Gly57 4.30 Al N A:Glu58 3.96 Al CA A:Glu58 4.85 Al CE A:Lys61 4.49 Al NZ A:Lys61 4.22 Al CZ A:Arg200 4.74 Al NH2 A:Arg200 4.31 Al NH1 A:Arg200 4.20 Al O A:Thr203 4.41 Al N A:Thr203 4.38 Al CB A:Thr203 4.59 Al CA A:Thr203 4.94 Al O A:Val223 4.93 Al C A:Gly224 4.74 Al CA A:Gly224 4.49 Al N A:Gly225 3.93 Al CA A:Gly225 4.79 Al NE2 A:Gln226 4.12 Al OE1 A:Gln226 4.02 Al CD A:Gln226 4.44 Al MG A:Mg377 3.80 Al F4 A:Alf378 1.70 Al F3 A:Alf378 1.73 Al F2 A:Alf378 1.75 Al AL A:Alf378 0.00 Al F1 A:Alf378 1.77 Al O3B A:Gdp475 2.06 Al O1B A:Gdp475 3.81 Al PB A:Gdp475 3.20 Al O2B A:Gdp475 3.58 Al O3A A:Gdp475 4.50 Al O A:Hoh543 1.87 interactive model: Aluminium binding site 2 out of 2 in 1shz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 1shz. 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: Gly57, D: Glu58, D: Lys61, D: Arg200, D: Thr203, D: Gly224, D: Gly225, D: Gln226, D: Mg377, D: Alf378, D: Gdp476, D: Hoh502, D: Hoh550, conact list: Atom Atom Distance (A) Al C D:Gly57 4.68 Al CA D:Gly57 4.18 Al N D:Glu58 4.04 Al CA D:Glu58 4.98 Al NZ D:Lys61 3.85 Al CZ D:Arg200 4.31 Al NH2 D:Arg200 3.79 Al NH1 D:Arg200 3.99 Al O D:Thr203 4.54 Al N D:Thr203 4.34 Al CB D:Thr203 4.49 Al CA D:Thr203 4.88 Al C D:Gly224 4.70 Al CA D:Gly224 4.70 Al N D:Gly225 3.77 Al CA D:Gly225 4.44 Al NE2 D:Gln226 3.87 Al OE1 D:Gln226 4.07 Al CD D:Gln226 4.36 Al MG D:Mg377 3.69 Al F4 D:Alf378 1.61 Al F3 D:Alf378 1.69 Al F2 D:Alf378 1.77 Al AL D:Alf378 0.00 Al F1 D:Alf378 1.75 Al O3B D:Gdp476 2.07 Al O1B D:Gdp476 3.99 Al PB D:Gdp476 3.32 Al O2B D:Gdp476 3.75 Al O3A D:Gdp476 4.53 Al O D:Hoh502 4.65 Al O D:Hoh550 1.98 interactive model: