Cadmium in the structure of Three-Dimensional Structure of Rabbit Liver Cd-7 Metallothionein-2A in Aqueous Solution Determined By Nuclear Magnetic Resonance (pdb 2mrb)

The binding sites of Cadmium atom in the structure of Three-Dimensional Structure of Rabbit Liver Cd-7 Metallothionein-2A in Aqueous Solution Determined By Nuclear Magnetic Resonance (pdb code 2mrb). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 2mrb structure was solved by W.BRAUN, A.ARSENIEV, P.SCHULTZE, E.WOERGOETTER, G.WAGNER, M.VASAK, J.H.R.KAEGI, K.WUTHRICH, with NMR in Solution technique. Cadmium Binding Sites: Cadmium binding site 1 out of 3 in 2mrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 2mrb. 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: Cys15, A: Cys19, A: Thr20, A: Cys21, A: Cys24, A: Cys26, A: Cys29, A: Cd103, A: Cd104, conact list: Atom Atom Distance (A) Cd CB A:Cys15 3.31 Cd HA A:Cys15 4.14 Cd SG A:Cys15 2.60 Cd CA A:Cys15 4.38 Cd CB A:Cys19 3.34 Cd HA A:Cys19 3.99 Cd SG A:Cys19 2.53 Cd CA A:Cys19 4.32 Cd H A:Thr20 4.62 Cd SG A:Cys21 4.85 Cd CB A:Cys24 3.39 Cd SG A:Cys24 2.54 Cd CA A:Cys24 4.87 Cd CB A:Cys26 4.46 Cd H A:Cys26 4.50 Cd O A:Cys29 4.98 Cd N A:Cys29 4.81 Cd CB A:Cys29 3.36 Cd SG A:Cys29 2.53 Cd H A:Cys29 4.97 Cd CA A:Cys29 4.64 Cd CD A:Cd103 4.27 Cd CD A:Cd104 4.22 interactive model: Cadmium binding site 2 out of 3 in 2mrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 2mrb. 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: Cys7, A: Ala8, A: Cys13, A: Thr14, A: Cys15, A: Cys24, A: Cys26, A: Cd102, A: Cd104, conact list: Atom Atom Distance (A) Cd CB A:Cys7 3.36 Cd HA A:Cys7 4.79 Cd SG A:Cys7 2.70 Cd CA A:Cys7 4.74 Cd H A:Ala8 4.46 Cd CB A:Cys13 3.41 Cd SG A:Cys13 2.53 Cd C A:Cys13 4.90 Cd CA A:Cys13 4.73 Cd H A:Thr14 4.98 Cd N A:Cys15 4.61 Cd CB A:Cys15 3.36 Cd SG A:Cys15 2.53 Cd H A:Cys15 4.60 Cd CA A:Cys15 4.58 Cd SG A:Cys24 4.24 Cd CB A:Cys26 3.42 Cd SG A:Cys26 2.54 Cd CA A:Cys26 4.88 Cd CD A:Cd102 4.27 Cd CD A:Cd104 4.21 interactive model: Cadmium binding site 3 out of 3 in 2mrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cadmium in the PDB 2mrb. 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: Cys5, A: Ser6, A: Cys7, A: Cys15, A: Cys21, A: Cys24, A: Lys25, A: Cys26, A: Cd102, A: Cd103, conact list: Atom Atom Distance (A) Cd CB A:Cys5 3.26 Cd HA A:Cys5 3.32 Cd SG A:Cys5 2.53 Cd C A:Cys5 4.20 Cd CA A:Cys5 3.74 Cd N A:Ser6 4.01 Cd H A:Ser6 3.56 Cd C A:Ser6 4.72 Cd N A:Cys7 3.94 Cd CB A:Cys7 3.33 Cd HA A:Cys7 4.83 Cd SG A:Cys7 2.54 Cd H A:Cys7 3.50 Cd CA A:Cys7 4.25 Cd SG A:Cys15 4.34 Cd CB A:Cys21 3.41 Cd SG A:Cys21 2.53 Cd H A:Cys21 4.65 Cd CA A:Cys21 4.87 Cd N A:Cys24 4.70 Cd CB A:Cys24 3.36 Cd HA A:Cys24 2.95 Cd SG A:Cys24 2.61 Cd C A:Cys24 4.67 Cd CA A:Cys24 3.68 Cd N A:Lys25 4.49 Cd H A:Lys25 3.72 Cd SG A:Cys26 4.61 Cd H A:Cys26 4.28 Cd CD A:Cd102 4.22 Cd CD A:Cd103 4.21 interactive model: