Cadmium in the structure of Crystal Structure of Scar With Bound CD2+ (pdb 3hrt)

The binding sites of Cadmium atom in the structure of Crystal Structure of Scar With Bound CD2+ (pdb code 3hrt). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 3hrt structure was solved by K.E.STOLL, W.E.DRAPER, J.I.KLIEGMAN, M.V.GOLYNSKIY, R.A.T.BREW-APPIAH, H.K.BROWN, W.A.BREYER, N.S.JAKUBOVICS, H.F.JENKINSON, R.B.BRENNAN, S.M.COHEN, A.GLASFELD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.2-2.8 Space group P41212 a (A) 70.860 b (A) 70.860 c (A) 304.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23 Rfree (%) 28.2 Cadmium Binding Sites: Cadmium binding site 1 out of 2 in 3hrt Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 3hrt. 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: His76, A: Arg77, A: Glu80, A: Cys123, A: Pro124, A: His125, A: Asp160, conact list: Atom Atom Distance (A) Cd NE2 A:His76 4.27 Cd CD2 A:His76 4.41 Cd CG A:Arg77 4.64 Cd NE A:Arg77 4.73 Cd OE1 A:Glu80 2.39 Cd CB A:Glu80 4.89 Cd OE2 A:Glu80 3.49 Cd CD A:Glu80 3.28 Cd CG A:Glu80 4.64 Cd CB A:Cys123 3.66 Cd SG A:Cys123 2.54 Cd CA A:Cys123 4.95 Cd N A:Pro124 4.97 Cd CD A:Pro124 4.55 Cd N A:His125 4.50 Cd CB A:His125 3.88 Cd ND1 A:His125 2.94 Cd CD2 A:His125 5.00 Cd CE1 A:His125 3.92 Cd CG A:His125 3.81 Cd CA A:His125 4.78 Cd CB A:Asp160 4.89 Cd OD2 A:Asp160 3.44 Cd OD1 A:Asp160 2.84 Cd CG A:Asp160 3.48 interactive model: Cadmium binding site 2 out of 2 in 3hrt Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 3hrt. 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: B: His76, B: Arg77, B: Glu80, B: Cys123, B: Pro124, B: His125, B: Asp160, conact list: Atom Atom Distance (A) Cd NE2 B:His76 4.15 Cd CD2 B:His76 4.41 Cd CD B:Arg77 4.73 Cd CG B:Arg77 4.78 Cd NE B:Arg77 4.35 Cd OE1 B:Glu80 2.37 Cd OE2 B:Glu80 3.75 Cd CD B:Glu80 3.41 Cd CG B:Glu80 4.73 Cd CB B:Cys123 3.95 Cd SG B:Cys123 2.67 Cd CD B:Pro124 4.97 Cd NE2 B:His125 2.73 Cd N B:His125 4.95 Cd ND1 B:His125 4.74 Cd CD2 B:His125 2.86 Cd CE1 B:His125 4.03 Cd CG B:His125 4.20 Cd CB B:Asp160 4.48 Cd OD2 B:Asp160 2.91 Cd OD1 B:Asp160 3.61 Cd CG B:Asp160 3.40 Cd CA B:Asp160 4.89 interactive model: