Cadmium in the structure of Crystal Structure Of the N-Terminal Dimer Domain of E.Coli Dsbg (pdb 2iy2)

The binding sites of Cadmium atom in the structure of Crystal Structure Of the N-Terminal Dimer Domain of E.Coli Dsbg (pdb code 2iy2). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 2iy2 structure was solved by S.-M.YEH, P.METCALF, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 56.8-1.9 Space group P41 a (A) 56.842 b (A) 56.842 c (A) 42.049 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.6 Rfree (%) 23.6 Cadmium Binding Sites: Cadmium binding site 1 out of 4 in 2iy2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 2iy2. 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: Lys48, A: His49, B: Pro24, B: Asn57, A: Hoh2023, A: Hoh2024, conact list: Atom Atom Distance (A) Cd O A:Lys48 4.96 Cd NE2 A:His49 2.34 Cd ND1 A:His49 4.23 Cd CD2 A:His49 3.47 Cd CE1 A:His49 3.04 Cd CG A:His49 4.46 Cd CB B:Pro24 4.65 Cd CB B:Asn57 4.27 Cd O A:Hoh2023 2.30 Cd O A:Hoh2024 2.08 interactive model: Cadmium binding site 2 out of 4 in 2iy2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 2iy2. 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: Asp46, A: Lys48, A: His49, B: Gly25, conact list: Atom Atom Distance (A) Cd CB A:Asp46 3.32 Cd OD2 A:Asp46 4.28 Cd OD1 A:Asp46 2.27 Cd CG A:Asp46 3.13 Cd CA A:Asp46 4.85 Cd CD A:Lys48 4.53 Cd ND1 A:His49 4.90 Cd CE1 A:His49 4.57 Cd N B:Gly25 4.42 Cd CA B:Gly25 4.39 interactive model: Cadmium binding site 3 out of 4 in 2iy2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cadmium in the PDB 2iy2. 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: Pro24, A: Asn57, B: His49, A: Hoh2026, B: Hoh2022, conact list: Atom Atom Distance (A) Cd CB A:Pro24 4.39 Cd CG A:Pro24 4.70 Cd CB A:Asn57 4.31 Cd ND2 A:Asn57 4.86 Cd NE2 B:His49 2.34 Cd ND1 B:His49 4.30 Cd CD2 B:His49 3.45 Cd CE1 B:His49 3.10 Cd CG B:His49 4.49 Cd O A:Hoh2026 2.34 Cd O B:Hoh2022 2.27 interactive model: Cadmium binding site 4 out of 4 in 2iy2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Cadmium in the PDB 2iy2. 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: Gly25, B: Asp46, B: Lys48, B: His49, B: Hoh2019, B: Hoh2020, conact list: Atom Atom Distance (A) Cd N A:Gly25 4.41 Cd CA A:Gly25 4.40 Cd CB B:Asp46 3.38 Cd OD2 B:Asp46 2.28 Cd OD1 B:Asp46 4.35 Cd CG B:Asp46 3.18 Cd CA B:Asp46 4.93 Cd CD B:Lys48 4.78 Cd ND1 B:His49 4.86 Cd CE1 B:His49 4.49 Cd O B:Hoh2019 4.69 Cd O B:Hoh2020 2.41 interactive model: