Cadmium in the structure of Crystal Structure Of the Catalytic Domain of FLJ14393 (pdb 2xdv)

The binding sites of Cadmium atom in the structure of Crystal Structure Of the Catalytic Domain of FLJ14393 (pdb code 2xdv). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 2xdv structure was solved by T.KROJER, J.R.C.MUNIZ, S.S.NG, E.PILKA, K.GUO, A.C.W.PIKE, P.FILIPPAKOPOULOS, S.KNAPP, K.L.KAVANAGH, O.GILEADI, G.BUNKOCZI, W.W.YUE, F.NIESEN, F.SOBOTT, O.FEDOROV, P.SAVITSKY, G.KOCHAN, M.DANIEL, F.VONDELFT, C.H.ARROWSMITH, A.M.EDWARDS, J.WEIGELT, C.BOUNTRA, U.OPPERMANN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.3-2.6 Space group P4332 a (A) 185.180 b (A) 185.180 c (A) 185.180 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.65 Rfree (%) 22.85 Cadmium Binding Sites: Cadmium binding site 1 out of 3 in 2xdv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 2xdv. 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: Cys156, A: Arg338, A: Asp370, A: His371, A: Hoh2030, A: Hoh2057, A: Hoh2133, conact list: Atom Atom Distance (A) Cd CB A:Cys156 3.48 Cd SG A:Cys156 2.93 Cd CA A:Cys156 4.22 Cd NH2 A:Arg338 4.45 Cd NH1 A:Arg338 4.67 Cd CB A:Asp370 4.46 Cd OD2 A:Asp370 2.67 Cd OD1 A:Asp370 2.51 Cd CG A:Asp370 2.94 Cd NE2 A:His371 2.51 Cd ND1 A:His371 4.69 Cd CD2 A:His371 3.24 Cd CE1 A:His371 3.66 Cd CG A:His371 4.48 Cd O A:Hoh2030 4.32 Cd O A:Hoh2057 2.72 Cd O A:Hoh2133 2.29 interactive model: Cadmium binding site 2 out of 3 in 2xdv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 2xdv. 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: Lys87, A: Hoh2021, conact list: Atom Atom Distance (A) Cd CB A:Lys87 4.25 Cd O A:Hoh2021 2.96 interactive model: Cadmium binding site 3 out of 3 in 2xdv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cadmium in the PDB 2xdv. 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: Lys398, A: Cys460, A: Hoh2147, conact list: Atom Atom Distance (A) Cd CE A:Lys398 4.92 Cd CD A:Lys398 4.82 Cd NZ A:Lys398 4.90 Cd CB A:Cys460 4.13 Cd SG A:Cys460 2.78 Cd O A:Hoh2147 4.10 interactive model: