Cadmium in the structure of The Refined Structure of Cadmium Substituted Concanavalin A At 2.0 Angstroms Resolution (pdb 1con)

The binding sites of Cadmium atom in the structure of The Refined Structure of Cadmium Substituted Concanavalin A At 2.0 Angstroms Resolution (pdb code 1con). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 1con structure was solved by J.H.NAISMITH, J.HABASH, S.J.HARROP, J.R.HELLIWELL, W.N.HUNTER, A.J.KALB(GILBOA), J.YARIV, T.C.M.WAN, S.WEISGERBER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.0 Space group I222 a (A) 88.700 b (A) 86.500 c (A) 62.500 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.1 Rfree (%) n/a Cadmium Binding Sites: Cadmium binding site 1 out of 2 in 1con Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 1con. 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: Glu8, A: Asp10, A: Asp19, A: His24, A: Val32, A: Ser34, A: Ca239, A: Hoh242, A: Hoh243, A: Hoh246, A: Hoh335, conact list: Atom Atom Distance (A) Cd OE1 A:Glu8 3.47 Cd OE2 A:Glu8 2.33 Cd CD A:Glu8 3.25 Cd CG A:Glu8 4.61 Cd CB A:Asp10 3.55 Cd OD2 A:Asp10 2.14 Cd OD1 A:Asp10 4.17 Cd CG A:Asp10 3.13 Cd CB A:Asp19 4.24 Cd OD2 A:Asp19 3.44 Cd OD1 A:Asp19 2.40 Cd CG A:Asp19 3.12 Cd CA A:Asp19 4.62 Cd NE2 A:His24 2.34 Cd ND1 A:His24 4.38 Cd CD2 A:His24 3.29 Cd CE1 A:His24 3.26 Cd CG A:His24 4.41 Cd O A:Val32 4.58 Cd OG A:Ser34 4.19 Cd CA A:Ca239 4.18 Cd O A:Hoh242 2.13 Cd O A:Hoh243 2.50 Cd O A:Hoh246 4.21 Cd O A:Hoh335 4.00 interactive model: Cadmium binding site 2 out of 2 in 1con Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 1con. 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: Glu87, A: Trp88, A: His180, A: Glu183, A: Hoh344, A: Hoh365, A: Hoh377, A: Hoh379, conact list: Atom Atom Distance (A) Cd OE1 A:Glu87 2.49 Cd OE2 A:Glu87 3.31 Cd CD A:Glu87 3.22 Cd CG A:Glu87 4.59 Cd NE1 A:Trp88 4.84 Cd NE2 A:His180 4.09 Cd CE1 A:His180 4.39 Cd OE1 A:Glu183 2.49 Cd OE2 A:Glu183 2.37 Cd CD A:Glu183 2.78 Cd CG A:Glu183 4.30 Cd O A:Hoh344 2.80 Cd O A:Hoh365 2.71 Cd O A:Hoh377 4.68 Cd O A:Hoh379 4.50 interactive model: