Cadmium in the structure of Solution Structure Of the Alpha-Domain of Mouse Metallothionein-3 (pdb 1ji9)

The binding sites of Cadmium atom in the structure of Solution Structure Of the Alpha-Domain of Mouse Metallothionein-3 (pdb code 1ji9). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 1ji9 structure was solved by G.OZ, K.ZANGGER, I.M.ARMITAGE, with NMR in Solution technique. Cadmium Binding Sites: Cadmium binding site 1 out of 4 in 1ji9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 1ji9. 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: Cys37, A: Cys38, A: Cys42, A: Lys44, A: Cys45, A: Val50, A: Cys51, A: Cys64, A: Ser65, A: Cys66, A: Cys67, A: Gln68, A: Cd71, A: Cd72, conact list: Atom Atom Distance (A) Cd HB2 A:Cys37 4.65 Cd HG A:Cys37 3.95 Cd SG A:Cys37 4.86 Cd HG A:Cys38 3.43 Cd SG A:Cys38 3.90 Cd HG A:Cys42 4.85 Cd HB3 A:Lys44 4.85 Cd HG A:Cys45 4.83 Cd HB A:Val50 4.92 Cd CG2 A:Val50 4.13 Cd HG21 A:Val50 3.91 Cd HG22 A:Val50 3.35 Cd HG23 A:Val50 4.81 Cd HB2 A:Cys51 4.38 Cd HG A:Cys51 1.55 Cd N A:Cys51 4.57 Cd CB A:Cys51 3.64 Cd HB3 A:Cys51 3.44 Cd HA A:Cys51 4.83 Cd SG A:Cys51 2.51 Cd H A:Cys51 4.47 Cd CA A:Cys51 4.64 Cd HB2 A:Cys64 3.12 Cd HG A:Cys64 2.52 Cd CB A:Cys64 3.35 Cd HB3 A:Cys64 3.71 Cd SG A:Cys64 2.51 Cd CA A:Cys64 4.72 Cd N A:Ser65 4.83 Cd H A:Ser65 4.46 Cd HB2 A:Cys66 3.57 Cd HG A:Cys66 2.88 Cd N A:Cys66 4.06 Cd CB A:Cys66 3.65 Cd HB3 A:Cys66 4.56 Cd SG A:Cys66 2.51 Cd H A:Cys66 3.29 Cd C A:Cys66 4.31 Cd CA A:Cys66 4.25 Cd HB2 A:Cys67 3.43 Cd HG A:Cys67 2.08 Cd N A:Cys67 3.52 Cd CB A:Cys67 3.59 Cd HB3 A:Cys67 4.47 Cd HA A:Cys67 4.77 Cd SG A:Cys67 2.51 Cd H A:Cys67 2.72 Cd CA A:Cys67 4.26 Cd H A:Gln68 4.74 Cd CD A:Cd71 3.60 Cd CD A:Cd72 3.57 interactive model: Cadmium binding site 2 out of 4 in 1ji9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 1ji9. 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: Ser33, A: Cys34, A: Cys35, A: Cys38, A: Cys42, A: Cys45, A: Cys49, A: Val50, A: Cys51, A: Cd71, A: Cd72, conact list: Atom Atom Distance (A) Cd O A:Ser33 4.23 Cd O A:Cys34 2.90 Cd HB2 A:Cys34 3.71 Cd HG A:Cys34 3.25 Cd CB A:Cys34 3.76 Cd HB3 A:Cys34 4.64 Cd SG A:Cys34 2.52 Cd C A:Cys34 3.70 Cd CA A:Cys34 4.40 Cd HB2 A:Cys35 3.20 Cd HG A:Cys35 2.15 Cd N A:Cys35 4.44 Cd CB A:Cys35 3.49 Cd HB3 A:Cys35 4.23 Cd HA A:Cys35 4.56 Cd SG A:Cys35 2.51 Cd CA A:Cys35 4.47 Cd HB2 A:Cys38 3.73 Cd HG A:Cys38 3.99 Cd CB A:Cys38 4.47 Cd HB3 A:Cys38 4.54 Cd SG A:Cys38 4.71 Cd HB3 A:Cys42 4.94 Cd HB2 A:Cys45 4.01 Cd HG A:Cys45 3.08 Cd CB A:Cys45 3.43 Cd HB3 A:Cys45 3.14 Cd HA A:Cys45 4.56 Cd SG A:Cys45 2.52 Cd CA A:Cys45 4.62 Cd HB2 A:Cys49 3.88 Cd HG A:Cys49 2.65 Cd N A:Cys49 4.92 Cd CB A:Cys49 3.64 Cd HB3 A:Cys49 4.58 Cd HA A:Cys49 2.98 Cd SG A:Cys49 2.51 Cd C A:Cys49 4.52 Cd CA A:Cys49 3.74 Cd N A:Val50 4.85 Cd HG22 A:Val50 4.98 Cd H A:Val50 4.61 Cd HB2 A:Cys51 4.99 Cd HG A:Cys51 4.97 Cd N A:Cys51 5.00 Cd SG A:Cys51 4.22 Cd H A:Cys51 4.08 Cd CD A:Cd71 4.24 Cd CD A:Cd72 3.86 interactive model: Cadmium binding site 3 out of 4 in 1ji9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cadmium in the PDB 1ji9. 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: Cys35, A: Cys38, A: Pro39, A: Cys42, A: Lys44, A: Cys45, A: Cys49, A: Val50, A: Cys51, A: Cys64, A: Cys67, A: Cd69, A: Cd70, A: Cd72, conact list: Atom Atom Distance (A) Cd HG A:Cys35 3.97 Cd SG A:Cys35 4.91 Cd HB2 A:Cys38 3.77 Cd HG A:Cys38 2.02 Cd CB A:Cys38 3.35 Cd HB3 A:Cys38 3.12 Cd HA A:Cys38 4.71 Cd SG A:Cys38 2.49 Cd CA A:Cys38 4.65 Cd HD2 A:Pro39 4.93 Cd HB2 A:Cys42 3.86 Cd HG A:Cys42 1.74 Cd CB A:Cys42 3.53 Cd HB3 A:Cys42 3.41 Cd SG A:Cys42 2.50 Cd CA A:Cys42 4.85 Cd HB2 A:Lys44 2.94 Cd HG3 A:Lys44 4.65 Cd CB A:Lys44 3.80 Cd HB3 A:Lys44 3.72 Cd C A:Lys44 4.47 Cd CG A:Lys44 4.80 Cd CA A:Lys44 4.75 Cd H A:Lys44 4.65 Cd HB2 A:Cys45 3.44 Cd HG A:Cys45 2.88 Cd N A:Cys45 4.09 Cd CB A:Cys45 3.63 Cd HB3 A:Cys45 4.46 Cd HA A:Cys45 4.62 Cd SG A:Cys45 2.53 Cd H A:Cys45 3.99 Cd CA A:Cys45 4.43 Cd HA A:Cys49 4.98 Cd CG2 A:Val50 3.82 Cd HG21 A:Val50 3.81 Cd HG22 A:Val50 3.42 Cd HG23 A:Val50 3.61 Cd H A:Val50 4.66 Cd HG A:Cys51 3.53 Cd SG A:Cys51 3.66 Cd H A:Cys51 4.73 Cd HG A:Cys64 4.62 Cd SG A:Cys64 4.55 Cd HB2 A:Cys67 3.70 Cd HG A:Cys67 1.88 Cd CB A:Cys67 3.49 Cd HB3 A:Cys67 3.46 Cd SG A:Cys67 2.51 Cd H A:Cys67 4.89 Cd CA A:Cys67 4.88 Cd CD A:Cd69 3.60 Cd CD A:Cd70 4.24 Cd CD A:Cd72 3.64 interactive model: Cadmium binding site 4 out of 4 in 1ji9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Cadmium in the PDB 1ji9. 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: Cys35, A: Ser36, A: Cys37, A: Cys38, A: Cys42, A: Cys45, A: Cys49, A: Val50, A: Cys51, A: Ala59, A: Cys64, A: Cys67, A: Cd69, A: Cd70, A: Cd71, conact list: Atom Atom Distance (A) Cd HB2 A:Cys35 3.94 Cd HG A:Cys35 1.93 Cd CB A:Cys35 3.42 Cd HB3 A:Cys35 3.15 Cd HA A:Cys35 4.66 Cd SG A:Cys35 2.49 Cd CA A:Cys35 4.66 Cd H A:Ser36 4.65 Cd O A:Cys37 4.50 Cd HB2 A:Cys37 3.66 Cd HG A:Cys37 1.75 Cd N A:Cys37 4.33 Cd CB A:Cys37 3.68 Cd HB3 A:Cys37 4.60 Cd SG A:Cys37 2.51 Cd H A:Cys37 3.68 Cd C A:Cys37 4.03 Cd CA A:Cys37 4.25 Cd HB2 A:Cys38 3.25 Cd HG A:Cys38 1.92 Cd N A:Cys38 3.93 Cd CB A:Cys38 3.51 Cd HB3 A:Cys38 4.27 Cd HA A:Cys38 4.97 Cd SG A:Cys38 2.50 Cd H A:Cys38 3.93 Cd CA A:Cys38 4.44 Cd HG A:Cys42 4.82 Cd HG A:Cys45 4.60 Cd SG A:Cys45 4.29 Cd HG A:Cys49 4.78 Cd HG22 A:Val50 4.81 Cd HB2 A:Cys51 3.42 Cd HG A:Cys51 2.73 Cd CB A:Cys51 3.59 Cd HB3 A:Cys51 4.03 Cd SG A:Cys51 2.51 Cd H A:Cys51 4.55 Cd CA A:Cys51 4.92 Cd HB3 A:Ala59 4.61 Cd HA A:Ala59 4.99 Cd HB2 A:Cys64 4.93 Cd HG A:Cys64 4.39 Cd CB A:Cys64 4.44 Cd HB3 A:Cys64 3.99 Cd SG A:Cys64 3.63 Cd HG A:Cys67 3.93 Cd SG A:Cys67 4.87 Cd CD A:Cd69 3.57 Cd CD A:Cd70 3.86 Cd CD A:Cd71 3.64 interactive model: