Aluminium in the structure of Crystal Structure of Bisphosphoglycerate Mutase in Complex With 3-Phosphoglycerate and ALF4- (pdb 2f90)

The binding sites of Aluminium atom in the structure of Crystal Structure of Bisphosphoglycerate Mutase in Complex With 3-Phosphoglycerate and ALF4- (pdb code 2f90). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 2f90 structure was solved by Y.WANG, L.LIU, Z.WEI, W.GONG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.0 Space group P212121 a (A) 48.351 b (A) 71.652 c (A) 158.772 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.3 Rfree (%) 22.8 Aluminium Binding Sites: Aluminium binding site 1 out of 2 in 2f90 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 2f90. 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: Arg10, A: His11, A: Asn17, A: Arg62, A: Glu89, A: His188, A: Gly189, A: Alf400, A: 3pg408, A: Hoh588, conact list: Atom Atom Distance (A) Al CZ A:Arg10 4.55 Al CG A:Arg10 4.85 Al NE A:Arg10 3.99 Al NH2 A:Arg10 4.11 Al NE2 A:His11 2.07 Al ND1 A:His11 4.22 Al CD2 A:His11 3.03 Al CE1 A:His11 3.10 Al CG A:His11 4.20 Al ND2 A:Asn17 4.48 Al CD A:Arg62 4.94 Al CZ A:Arg62 4.40 Al NE A:Arg62 3.87 Al NH2 A:Arg62 3.94 Al OE2 A:Glu89 3.86 Al CD A:Glu89 4.63 Al CG A:Glu89 4.64 Al CB A:His188 4.49 Al ND1 A:His188 4.27 Al CG A:His188 4.87 Al CA A:His188 4.92 Al N A:Gly189 4.39 Al F4 A:Alf400 1.78 Al F3 A:Alf400 1.79 Al F2 A:Alf400 1.76 Al AL A:Alf400 0.00 Al F1 A:Alf400 1.77 Al O2 A:3pg408 4.70 Al C1 A:3pg408 3.94 Al O1 A:3pg408 4.54 Al C3 A:3pg408 4.18 Al O3 A:3pg408 1.98 Al C2 A:3pg408 3.07 Al O A:Hoh588 3.98 interactive model: Aluminium binding site 2 out of 2 in 2f90 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 2f90. 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: Arg10, B: His11, B: Asn17, B: Arg62, B: Glu89, B: His188, B: Gly189, B: Alf401, B: 3pg409, B: Hoh601, conact list: Atom Atom Distance (A) Al CZ B:Arg10 4.50 Al CG B:Arg10 4.88 Al NE B:Arg10 3.98 Al NH2 B:Arg10 4.04 Al NE2 B:His11 2.09 Al ND1 B:His11 4.22 Al CD2 B:His11 3.08 Al CE1 B:His11 3.09 Al CG B:His11 4.23 Al ND2 B:Asn17 4.47 Al OD1 B:Asn17 4.96 Al CD B:Arg62 4.95 Al CZ B:Arg62 4.50 Al NE B:Arg62 3.92 Al NH2 B:Arg62 4.09 Al OE2 B:Glu89 3.78 Al CD B:Glu89 4.59 Al CG B:Glu89 4.64 Al CB B:His188 4.42 Al ND1 B:His188 4.24 Al CG B:His188 4.82 Al CA B:His188 4.85 Al N B:Gly189 4.32 Al F4 B:Alf401 1.79 Al F3 B:Alf401 1.79 Al F2 B:Alf401 1.76 Al AL B:Alf401 0.00 Al F1 B:Alf401 1.77 Al O2 B:3pg409 4.57 Al C1 B:3pg409 3.97 Al O1 B:3pg409 4.74 Al C3 B:3pg409 4.18 Al O3 B:3pg409 1.98 Al C2 B:3pg409 3.10 Al O B:Hoh601 4.35 interactive model: