Cadmium in the structure of Staphylococcal Enterotoxin A (pdb 1esf)

The binding sites of Cadmium atom in the structure of Staphylococcal Enterotoxin A (pdb code 1esf). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 1esf structure was solved by E.M.SCHAD, L.A.SVENSSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.9 Space group P1211 a (A) 53.600 b (A) 62.500 c (A) 75.100 alpha (°) 90.00 beta (°) 96.00 gamma (°) 90.00 Rfactor (%) 20.4 Rfree (%) 27.7 Cadmium Binding Sites: Cadmium binding site 1 out of 2 in 1esf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 1esf. 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: Ser1, A: Asn128, A: His187, A: His225, A: Asp227, A: Hoh619, A: Hoh752, conact list: Atom Atom Distance (A) Cd N A:Ser1 2.49 Cd CB A:Ser1 3.23 Cd OG A:Ser1 2.36 Cd C A:Ser1 4.55 Cd CA A:Ser1 3.13 Cd ND2 A:Asn128 4.27 Cd NE2 A:His187 4.41 Cd CB A:His187 3.76 Cd ND1 A:His187 2.38 Cd CD2 A:His187 4.53 Cd CE1 A:His187 3.25 Cd CG A:His187 3.44 Cd NE2 A:His225 2.33 Cd ND1 A:His225 4.38 Cd CD2 A:His225 3.32 Cd CE1 A:His225 3.25 Cd CG A:His225 4.45 Cd CB A:Asp227 4.44 Cd OD2 A:Asp227 2.42 Cd OD1 A:Asp227 2.95 Cd CG A:Asp227 3.01 Cd O A:Hoh619 4.10 Cd O A:Hoh752 3.10 interactive model: Cadmium binding site 2 out of 2 in 1esf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 1esf. 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: Ser1, B: Asn128, B: His187, B: His225, B: Asp227, B: Hoh624, conact list: Atom Atom Distance (A) Cd N B:Ser1 2.27 Cd CB B:Ser1 3.30 Cd OG B:Ser1 2.41 Cd C B:Ser1 4.57 Cd CA B:Ser1 3.13 Cd ND2 B:Asn128 4.70 Cd NE2 B:His187 4.23 Cd CB B:His187 3.76 Cd ND1 B:His187 2.27 Cd CD2 B:His187 4.39 Cd CE1 B:His187 3.06 Cd CG B:His187 3.35 Cd NE2 B:His225 2.26 Cd ND1 B:His225 4.28 Cd CD2 B:His225 3.33 Cd CE1 B:His225 3.12 Cd CG B:His225 4.41 Cd CB B:Asp227 4.53 Cd OD2 B:Asp227 2.37 Cd OD1 B:Asp227 3.22 Cd CG B:Asp227 3.14 Cd O B:Hoh624 4.33 interactive model: