Cadmium in the structure of Crystal Structure of Ehub in Complex With Ectoine (pdb 2q88)

The binding sites of Cadmium atom in the structure of Crystal Structure of Ehub in Complex With Ectoine (pdb code 2q88). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 2q88 structure was solved by N.HANEKOP, M.HOEING, L.SOHN-BOSSER, M.JEBBAR, L.SCHMITT, E.BREMER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.9 Space group P43212 a (A) 57.365 b (A) 57.365 c (A) 161.883 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.8 Rfree (%) 24.9 Cadmium Binding Sites: Cadmium binding site 1 out of 4 in 2q88 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 2q88. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu250, A: Hoh630, A: Hoh648, A: Hoh719, conact list: Atom Atom Distance (A) Cd OE1 A:Glu250 2.79 Cd CB A:Glu250 4.90 Cd OE2 A:Glu250 2.56 Cd CD A:Glu250 2.94 Cd CG A:Glu250 4.32 Cd O A:Hoh630 2.49 Cd O A:Hoh648 2.26 Cd O A:Hoh719 1.54 interactive model: Cadmium binding site 2 out of 4 in 2q88 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 2q88. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu226, A: Hoh608, A: Hoh669, A: Hoh673, A: Hoh726, conact list: Atom Atom Distance (A) Cd OE2 A:Glu226 4.69 Cd CD A:Glu226 4.99 Cd CG A:Glu226 4.35 Cd O A:Hoh608 2.50 Cd O A:Hoh669 2.42 Cd O A:Hoh673 2.08 Cd O A:Hoh726 1.77 interactive model: Cadmium binding site 3 out of 4 in 2q88 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cadmium in the PDB 2q88. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu211, A: Ala212, A: Asp215, A: Hoh609, A: Hoh679, A: Hoh725, conact list: Atom Atom Distance (A) Cd O A:Glu211 4.66 Cd OE1 A:Glu211 2.32 Cd OE2 A:Glu211 3.34 Cd CD A:Glu211 3.19 Cd C A:Glu211 4.91 Cd CG A:Glu211 4.63 Cd CA A:Ala212 4.96 Cd CB A:Asp215 4.55 Cd OD2 A:Asp215 2.17 Cd OD1 A:Asp215 3.79 Cd CG A:Asp215 3.33 Cd O A:Hoh609 1.62 Cd O A:Hoh679 2.39 Cd O A:Hoh725 2.50 interactive model: Cadmium binding site 4 out of 4 in 2q88 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Cadmium in the PDB 2q88. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ser56, A: Arg71, A: His72, A: Hoh605, A: Hoh666, A: Hoh704, conact list: Atom Atom Distance (A) Cd CB A:Ser56 3.46 Cd OG A:Ser56 2.55 Cd CA A:Ser56 4.85 Cd O A:Arg71 4.67 Cd NE2 A:His72 2.53 Cd ND1 A:His72 4.63 Cd CD2 A:His72 3.22 Cd CE1 A:His72 3.64 Cd CG A:His72 4.46 Cd O A:Hoh605 2.35 Cd O A:Hoh666 4.13 Cd O A:Hoh704 4.44 interactive model: