Cadmium in the structure of Pheromone Binding to Two Rodent Urinary Proteins Revealed By X-Ray Crystallography (pdb 1mup)

The binding sites of Cadmium atom in the structure of Pheromone Binding to Two Rodent Urinary Proteins Revealed By X-Ray Crystallography (pdb code 1mup). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 1mup structure was solved by Z.BOCSKEI, D.R.FLOWER, C.R.GROOM, S.E.V.PHILLIPS, A.C.T.NORTH, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 14.0-2.4 Space group P43212 a (A) 57.300 b (A) 57.300 c (A) 110.000 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Cadmium Binding Sites: Cadmium binding site 1 out of 4 in 1mup Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 1mup. 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: His108, A: Gln119, A: His145, conact list: Atom Atom Distance (A) Cd NE2 A:His108 2.70 Cd ND1 A:His108 4.65 Cd CD2 A:His108 3.55 Cd CE1 A:His108 3.60 Cd CG A:His108 4.64 Cd NE2 A:Gln119 2.05 Cd OE1 A:Gln119 2.09 Cd CB A:Gln119 4.79 Cd CD A:Gln119 2.46 Cd CG A:Gln119 3.91 Cd O A:His145 4.22 Cd NE2 A:His145 4.63 Cd CB A:His145 3.56 Cd ND1 A:His145 2.54 Cd CD2 A:His145 4.60 Cd C A:His145 4.82 Cd CE1 A:His145 3.54 Cd CG A:His145 3.42 Cd CA A:His145 4.36 interactive model: Cadmium binding site 2 out of 4 in 1mup Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 1mup. 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: Glu22, A: His24, A: Arg126, A: Glu127, A: Hoh328, A: Hoh354, A: Hoh355, A: Hoh360, conact list: Atom Atom Distance (A) Cd OE1 A:Glu22 2.52 Cd OE2 A:Glu22 2.84 Cd CD A:Glu22 3.01 Cd CG A:Glu22 4.49 Cd NE2 A:His24 4.61 Cd O A:Arg126 4.54 Cd OE2 A:Glu127 4.64 Cd O A:Hoh328 4.69 Cd O A:Hoh354 2.05 Cd O A:Hoh355 2.00 Cd O A:Hoh360 2.88 interactive model: Cadmium binding site 3 out of 4 in 1mup Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cadmium in the PDB 1mup. 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: Asp65, A: Hoh346, conact list: Atom Atom Distance (A) Cd CB A:Asp65 4.31 Cd OD2 A:Asp65 2.02 Cd OD1 A:Asp65 3.13 Cd CG A:Asp65 2.88 Cd O A:Hoh346 2.32 interactive model: Cadmium binding site 4 out of 4 in 1mup Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Cadmium in the PDB 1mup. 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: Glu47, A: His61, A: Glu70, A: Hoh330, A: Hoh366, conact list: Atom Atom Distance (A) Cd OE1 A:Glu47 2.34 Cd CB A:Glu47 4.91 Cd OE2 A:Glu47 2.23 Cd CD A:Glu47 2.51 Cd CG A:Glu47 3.85 Cd CB A:His61 4.73 Cd ND1 A:His61 4.37 Cd CG A:His61 4.93 Cd OE1 A:Glu70 2.24 Cd CB A:Glu70 4.99 Cd OE2 A:Glu70 1.97 Cd CD A:Glu70 2.34 Cd CG A:Glu70 3.69 Cd O A:Hoh330 4.55 Cd O A:Hoh366 4.50 interactive model: