Aluminium in the structure of Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift (pdb 1xlh)

The binding sites of Aluminium atom in the structure of Mechanism For Aldose-Ketose Interconversion By D-Xylose Isomerase Involving Ring Opening Followed By A 1,2-Hydride Shift (pdb code 1xlh). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom. The 1xlh structure was solved by C.A.COLLYER, K.HENRICK, D.M.BLOW, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-2.5 Space group P3121 a (A) 105.800 b (A) 105.800 c (A) 153.500 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) n/a Rfree (%) n/a Aluminium Binding Sites: Aluminium binding site 1 out of 2 in 1xlh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 1xlh. 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: Glu180, A: Asn214, A: Glu216, A: His219, A: Asp244, A: Asp292, A: Hoh498A, A: Hoh680B, A: Hoh681B, A: Hoh682B, A: Hoh684B, A: Hoh691A, conact list: Atom Atom Distance (A) Al OE1 A:Glu180 3.43 Al OE2 A:Glu180 2.27 Al CD A:Glu180 3.19 Al CG A:Glu180 4.48 Al ND2 A:Asn214 4.59 Al OE1 A:Glu216 2.12 Al CB A:Glu216 4.31 Al OE2 A:Glu216 4.28 Al CD A:Glu216 3.38 Al CG A:Glu216 4.27 Al NE2 A:His219 4.46 Al CE1 A:His219 4.42 Al CB A:Asp244 3.88 Al OD2 A:Asp244 2.01 Al OD1 A:Asp244 4.08 Al CG A:Asp244 3.16 Al CB A:Asp292 3.94 Al OD2 A:Asp292 2.15 Al OD1 A:Asp292 4.25 Al CG A:Asp292 3.28 Al O A:Hoh498A 4.03 Al O A:Hoh680B 3.89 Al O A:Hoh681B 3.45 Al O A:Hoh682B 3.77 Al O A:Hoh684B 4.34 Al O A:Hoh691A 1.97 interactive model: Aluminium binding site 2 out of 2 in 1xlh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 1xlh. 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: Glu180, B: Asn214, B: Glu216, B: His219, B: Asp244, B: Asp292, B: Hoh497B, B: Hoh673B, B: Hoh676B, B: Hoh677B, B: Hoh685B, B: Hoh691B, conact list: Atom Atom Distance (A) Al OE1 B:Glu180 3.41 Al OE2 B:Glu180 2.39 Al CD B:Glu180 3.17 Al CG B:Glu180 4.45 Al ND2 B:Asn214 4.58 Al OE1 B:Glu216 2.06 Al CB B:Glu216 4.36 Al OE2 B:Glu216 4.28 Al CD B:Glu216 3.33 Al CG B:Glu216 4.27 Al NE2 B:His219 4.56 Al CE1 B:His219 4.32 Al CB B:Asp244 3.90 Al OD2 B:Asp244 2.01 Al OD1 B:Asp244 4.13 Al CG B:Asp244 3.21 Al CB B:Asp292 3.84 Al OD2 B:Asp292 2.14 Al OD1 B:Asp292 4.25 Al CG B:Asp292 3.27 Al O B:Hoh497B 4.07 Al O B:Hoh673B 3.92 Al O B:Hoh676B 3.07 Al O B:Hoh677B 3.68 Al O B:Hoh685B 4.35 Al O B:Hoh691B 2.03 interactive model: