Cadmium in the structure of Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii- Cadmium Bound Domain 2 With Acetate (CDCA1-R2) (pdb 3boe)

The binding sites of Cadmium atom in the structure of Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii- Cadmium Bound Domain 2 With Acetate (CDCA1-R2) (pdb code 3boe). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 3boe structure was solved by Y.XU, L.FENG, P.D.JEFFREY, Y.SHI, F.M.M.MOREL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.9-1.4 Space group P21212 a (A) 64.619 b (A) 78.684 c (A) 37.306 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.6 Rfree (%) 18.6 Cadmium Binding Sites: Cadmium binding site 1 out of 1 in 3boe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 3boe. 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: Cys263, A: Asp265, A: Gly281, A: His315, A: Gly324, A: Cys325, A: Gly326, A: Phe327, A: Act1002, A: Hoh1003, A: Hoh1020, conact list: Atom Atom Distance (A) Cd CB A:Cys263 3.48 Cd SG A:Cys263 2.47 Cd CA A:Cys263 4.90 Cd CB A:Asp265 4.43 Cd OD2 A:Asp265 4.27 Cd CG A:Asp265 4.88 Cd N A:Gly281 4.20 Cd CA A:Gly281 4.19 Cd NE2 A:His315 2.33 Cd ND1 A:His315 4.43 Cd CD2 A:His315 3.27 Cd CE1 A:His315 3.33 Cd CG A:His315 4.44 Cd O A:Gly324 4.98 Cd O A:Cys325 4.88 Cd N A:Cys325 4.86 Cd CB A:Cys325 3.42 Cd SG A:Cys325 2.51 Cd C A:Cys325 3.91 Cd CA A:Cys325 3.50 Cd N A:Gly326 3.73 Cd CA A:Gly326 4.76 Cd N A:Phe327 4.23 Cd CB A:Phe327 4.56 Cd O A:Act1002 3.56 Cd CH3 A:Act1002 4.67 Cd C A:Act1002 3.37 Cd OXT A:Act1002 2.47 Cd O A:Hoh1003 2.32 Cd O A:Hoh1020 4.69 interactive model: