Cadmium in the structure of Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex (pdb 1znd)

The binding sites of Cadmium atom in the structure of Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex (pdb code 1znd). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 1znd structure was solved by R.MALHAM, S.JOHNSTONE, R.J.BINGHAM, E.BARRATT, S.E.PHILLIPS, C.A.LAUGHTON, S.W.HOMANS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.5-1.6 Space group P43212 a (A) 53.511 b (A) 53.511 c (A) 136.974 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.8 Rfree (%) 20.4 Cadmium Binding Sites: Cadmium binding site 1 out of 2 in 1znd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 1znd. 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: Gln136, A: Glu139, A: Hoh234, A: Hoh253, A: Hoh270, A: Hoh335, A: Hoh407, A: Hoh408, conact list: Atom Atom Distance (A) Cd NE2 A:Gln136 4.14 Cd OE1 A:Gln136 4.53 Cd CD A:Gln136 4.79 Cd OE1 A:Glu139 2.31 Cd OE2 A:Glu139 2.43 Cd CD A:Glu139 2.69 Cd CG A:Glu139 4.22 Cd O A:Hoh234 4.40 Cd O A:Hoh253 4.23 Cd O A:Hoh270 4.97 Cd O A:Hoh335 2.31 Cd O A:Hoh407 2.36 Cd O A:Hoh408 2.28 interactive model: Cadmium binding site 2 out of 2 in 1znd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 1znd. 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: Glu13, A: Hoh217, A: Hoh276, A: Hoh409, conact list: Atom Atom Distance (A) Cd OE1 A:Glu13 2.26 Cd OE2 A:Glu13 2.58 Cd CD A:Glu13 2.73 Cd CG A:Glu13 4.23 Cd O A:Hoh217 2.31 Cd O A:Hoh276 4.70 Cd O A:Hoh409 2.29 interactive model: