Cadmium in the structure of The Crystal Structure of Bacillus Subtilis Lipase: A Minimal Alpha/Beta Hydrolase Enzyme (pdb 1i6w)

The binding sites of Cadmium atom in the structure of The Crystal Structure of Bacillus Subtilis Lipase: A Minimal Alpha/Beta Hydrolase Enzyme (pdb code 1i6w). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 1i6w structure was solved by G.VAN POUDEROYEN, T.EGGERT, K.-E.JAEGER, B.W.DIJKSTRA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-1.5 Space group P212121 a (A) 39.639 b (A) 83.201 c (A) 95.752 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.1 Rfree (%) 20.6 Cadmium Binding Sites: Cadmium binding site 1 out of 1 in 1i6w Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 1i6w. 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: His3, B: Glu2, B: His3, B: Asn174, B: Hoh628, B: Hoh660, B: Hoh696, B: Hoh748, B: Hoh758, conact list: Atom Atom Distance (A) Cd NE2 A:His3 4.75 Cd N A:His3 4.88 Cd CD2 A:His3 4.66 Cd O B:Glu2 4.76 Cd N B:Glu2 4.77 Cd CD2 B:His3 4.77 Cd O B:Asn174 4.65 Cd ND2 B:Asn174 3.98 Cd C B:Asn174 4.98 Cd CG B:Asn174 4.80 Cd CA B:Asn174 4.74 Cd O B:Hoh628 4.75 Cd O B:Hoh660 3.99 Cd O B:Hoh696 4.89 Cd O B:Hoh748 2.65 Cd O B:Hoh758 4.61 interactive model: