Cadmium in the structure of Structure of CBM26 From Bacillus Halodurans Amylase (pdb 2c3g)

The binding sites of Cadmium atom in the structure of Structure of CBM26 From Bacillus Halodurans Amylase (pdb code 2c3g). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 2c3g structure was solved by A.B.BORASTON, M.HEALEY, J.KLASSEN, E.FICKO-BLEAN, A.LAMMERTS VAN BUEREN, V.LAW, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.0 Space group P42212 a (A) 49.286 b (A) 49.286 c (A) 86.760 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.6 Rfree (%) 30.2 Cadmium Binding Sites: Cadmium binding site 1 out of 4 in 2c3g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 2c3g. 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: Asp15, A: Asp48, A: Hoh2011, A: Hoh2015, A: Hoh2047, conact list: Atom Atom Distance (A) Cd CB A:Asp15 4.54 Cd OD2 A:Asp15 2.21 Cd OD1 A:Asp15 3.24 Cd CG A:Asp15 3.10 Cd CB A:Asp48 4.27 Cd OD2 A:Asp48 2.53 Cd OD1 A:Asp48 2.33 Cd CG A:Asp48 2.80 Cd O A:Hoh2011 4.59 Cd O A:Hoh2015 1.97 Cd O A:Hoh2047 4.26 interactive model: Cadmium binding site 2 out of 4 in 2c3g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 2c3g. 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: Asp89, A: Glu91, A: His93, A: Pro97, A: Hoh2034, A: Hoh2075, A: Hoh2079, conact list: Atom Atom Distance (A) Cd O A:Asp89 4.91 Cd CB A:Asp89 4.09 Cd OD2 A:Asp89 2.36 Cd OD1 A:Asp89 2.13 Cd CG A:Asp89 2.60 Cd O A:Glu91 4.63 Cd N A:Glu91 4.74 Cd CB A:Glu91 4.37 Cd CA A:Glu91 4.98 Cd NE2 A:His93 2.33 Cd ND1 A:His93 4.36 Cd CD2 A:His93 3.35 Cd CE1 A:His93 3.22 Cd CG A:His93 4.45 Cd CB A:Pro97 4.53 Cd CG A:Pro97 4.44 Cd O A:Hoh2034 4.47 Cd O A:Hoh2075 4.28 Cd O A:Hoh2079 2.28 interactive model: Cadmium binding site 3 out of 4 in 2c3g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cadmium in the PDB 2c3g. 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: Glu41, A: Glu43, A: Thr51, A: His52, A: Thr53, A: Hoh2043, conact list: Atom Atom Distance (A) Cd O A:Glu41 3.92 Cd N A:Glu43 4.87 Cd CB A:Glu43 4.84 Cd OE2 A:Glu43 3.29 Cd CD A:Glu43 3.77 Cd CG A:Glu43 3.38 Cd O A:Thr51 4.59 Cd NE2 A:His52 4.38 Cd CB A:His52 3.97 Cd ND1 A:His52 2.42 Cd CD2 A:His52 4.57 Cd CE1 A:His52 3.18 Cd CG A:His52 3.54 Cd CA A:His52 4.23 Cd N A:Thr53 4.64 Cd O A:Hoh2043 2.32 interactive model: Cadmium binding site 4 out of 4 in 2c3g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Cadmium in the PDB 2c3g. 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: His44, A: Tyr45, conact list: Atom Atom Distance (A) Cd O A:His44 4.35 Cd NE2 A:His44 4.39 Cd CB A:His44 3.93 Cd ND1 A:His44 2.40 Cd CD2 A:His44 4.57 Cd C A:His44 4.51 Cd CE1 A:His44 3.19 Cd CG A:His44 3.52 Cd CA A:His44 4.85 Cd O A:Tyr45 4.31 Cd C A:Tyr45 4.78 interactive model: