Cadmium in the structure of The Three-Dimensional Solution Structure of Callinectes Sapidus Metallothionein-I Determined By Homonuclear and Heteronuclear Magnetic Resonance Spectroscopy (pdb 1dmc)

The binding sites of Cadmium atom in the structure of The Three-Dimensional Solution Structure of Callinectes Sapidus Metallothionein-I Determined By Homonuclear and Heteronuclear Magnetic Resonance Spectroscopy (pdb code 1dmc). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 1dmc structure was solved by S.S.NARULA, M.BROUWER, Y.HUA, I.M.ARMITAGE, with NMR in Solution technique. Cadmium Binding Sites: Cadmium binding site 1 out of 3 in 1dmc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 1dmc. 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: Cys6, A: Cys10, A: Cys12, A: Cys18, A: Thr21, A: Cys22, A: Lys24, A: Pro25, A: Cys26, A: Cys29, A: Pro30, A: Cd102, A: Cd106, conact list: Atom Atom Distance (A) Cd SG A:Cys6 4.01 Cd SG A:Cys10 4.80 Cd HB2 A:Cys12 3.63 Cd CB A:Cys12 3.54 Cd HB3 A:Cys12 3.59 Cd SG A:Cys12 2.54 Cd H A:Cys12 4.81 Cd CA A:Cys12 4.95 Cd O A:Cys18 3.97 Cd HB2 A:Cys18 3.75 Cd N A:Cys18 4.99 Cd CB A:Cys18 3.60 Cd HB3 A:Cys18 4.57 Cd HA A:Cys18 2.98 Cd SG A:Cys18 2.55 Cd C A:Cys18 4.27 Cd CA A:Cys18 3.70 Cd CG2 A:Thr21 4.17 Cd HG21 A:Thr21 3.78 Cd HG22 A:Thr21 3.76 Cd HG23 A:Thr21 4.34 Cd HB2 A:Cys22 3.32 Cd N A:Cys22 4.82 Cd CB A:Cys22 3.54 Cd HB3 A:Cys22 3.99 Cd SG A:Cys22 2.56 Cd H A:Cys22 4.54 Cd CA A:Cys22 4.82 Cd O A:Lys24 4.29 Cd HA A:Pro25 4.58 Cd HB2 A:Cys26 4.39 Cd SG A:Cys26 4.62 Cd H A:Cys26 4.06 Cd HB2 A:Cys29 4.08 Cd CB A:Cys29 3.44 Cd HB3 A:Cys29 3.08 Cd HA A:Cys29 4.50 Cd SG A:Cys29 2.55 Cd H A:Cys29 4.83 Cd CA A:Cys29 4.57 Cd HD2 A:Pro30 4.53 Cd HD3 A:Pro30 4.86 Cd CD A:Cd102 3.64 Cd CD A:Cd106 3.57 interactive model: Cadmium binding site 2 out of 3 in 1dmc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 1dmc. 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: Pro2, A: Cys6, A: Cys10, A: Cys12, A: Cys26, A: Cys28, A: Cys29, A: Cd101, A: Cd106, conact list: Atom Atom Distance (A) Cd HB2 A:Pro2 4.80 Cd CB A:Pro2 4.66 Cd HB3 A:Pro2 3.67 Cd HA A:Pro2 4.90 Cd O A:Cys6 4.66 Cd HB2 A:Cys6 4.31 Cd CB A:Cys6 3.54 Cd HB3 A:Cys6 3.29 Cd HA A:Cys6 4.30 Cd SG A:Cys6 2.54 Cd C A:Cys6 4.95 Cd CA A:Cys6 4.47 Cd HB2 A:Cys10 3.43 Cd CB A:Cys10 3.56 Cd HB3 A:Cys10 4.50 Cd HA A:Cys10 3.52 Cd SG A:Cys10 2.55 Cd CA A:Cys10 4.10 Cd HB2 A:Cys12 4.60 Cd SG A:Cys12 4.05 Cd H A:Cys12 4.72 Cd HB2 A:Cys26 2.93 Cd CB A:Cys26 3.92 Cd HB3 A:Cys26 4.24 Cd SG A:Cys26 4.56 Cd H A:Cys26 4.50 Cd O A:Cys28 4.44 Cd HB2 A:Cys28 3.58 Cd N A:Cys28 4.35 Cd CB A:Cys28 3.65 Cd HB3 A:Cys28 4.58 Cd SG A:Cys28 2.55 Cd H A:Cys28 3.91 Cd C A:Cys28 3.73 Cd CA A:Cys28 4.13 Cd HB2 A:Cys29 4.55 Cd N A:Cys29 3.18 Cd CB A:Cys29 3.66 Cd HB3 A:Cys29 4.05 Cd HA A:Cys29 3.44 Cd SG A:Cys29 2.54 Cd H A:Cys29 2.97 Cd CA A:Cys29 3.63 Cd CD A:Cd101 3.64 Cd CD A:Cd106 3.88 interactive model: Cadmium binding site 3 out of 3 in 1dmc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cadmium in the PDB 1dmc. 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: Pro2, A: Cys3, A: Cys6, A: Cys12, A: Thr21, A: Cys22, A: Cys26, A: Cys29, A: Cd101, A: Cd102, conact list: Atom Atom Distance (A) Cd HB2 A:Pro2 4.72 Cd CB A:Pro2 4.71 Cd HB3 A:Pro2 4.27 Cd C A:Pro2 4.59 Cd CA A:Pro2 4.42 Cd HA A:Pro2 3.60 Cd HB2 A:Cys3 4.77 Cd N A:Cys3 3.69 Cd CB A:Cys3 3.88 Cd HB3 A:Cys3 3.90 Cd SG A:Cys3 2.60 Cd H A:Cys3 2.74 Cd CA A:Cys3 4.44 Cd HB2 A:Cys6 3.14 Cd CB A:Cys6 3.42 Cd HB3 A:Cys6 3.87 Cd HA A:Cys6 4.88 Cd SG A:Cys6 2.56 Cd CA A:Cys6 4.70 Cd SG A:Cys12 4.98 Cd CG2 A:Thr21 4.89 Cd HG21 A:Thr21 4.92 Cd HG22 A:Thr21 3.93 Cd HB2 A:Cys22 4.33 Cd CB A:Cys22 3.63 Cd HB3 A:Cys22 3.40 Cd HA A:Cys22 4.57 Cd SG A:Cys22 2.54 Cd CA A:Cys22 4.66 Cd HB2 A:Cys26 3.62 Cd CB A:Cys26 3.74 Cd HB3 A:Cys26 4.15 Cd SG A:Cys26 2.59 Cd H A:Cys26 4.53 Cd SG A:Cys29 4.04 Cd CD A:Cd101 3.57 Cd CD A:Cd102 3.88 interactive model: