The binding sites of Cadmium atom in the structure of Mona/Gads SH3C Domain (pdb code 1oeb). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom.
The 1oeb structure was solved by M.HARKIOLAKI, M.LEWITZKY, R.J.C.GILBERT, E.Y.JONES, R.P.BOURETTE, G.MOUCHIROUD, H.SONDERMANN, I.MOAREFI, S.M.FELLER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 19.7-1.8 | | Space group | P1211 | | a (A) | 28.691 | | b (A) | 72.072 | | c (A) | 34.168 | | alpha (°) | 90.00 | | beta (°) | 97.70 | | gamma (°) | 90.00 | | Rfactor (%) | 17.1 | | Rfree (%) | 23.5 |
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Cadmium binding site 1 out of 1 in 1oeb
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Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 1oeb. 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: Glu24, A: Leu41, A: His42, B: Glu24, B: Leu41, B: His42, A: Hoh2076, A: Hoh2077, B: Hoh2049, B: Hoh2050, B: Hoh2052, | conact list:
| Atom | Atom | Distance (A) | | Cd | OE1 A:Glu24 | 2.51 | | Cd | OE2 A:Glu24 | 2.33 | | Cd | CD A:Glu24 | 2.69 | | Cd | CG A:Glu24 | 4.14 | | Cd | CD1 A:Leu41 | 4.91 | | Cd | NE2 A:His42 | 2.30 | | Cd | ND1 A:His42 | 4.37 | | Cd | CD2 A:His42 | 3.28 | | Cd | CE1 A:His42 | 3.25 | | Cd | CG A:His42 | 4.42 | | Cd | OE1 B:Glu24 | 2.39 | | Cd | OE2 B:Glu24 | 2.49 | | Cd | CD B:Glu24 | 2.80 | | Cd | CG B:Glu24 | 4.34 | | Cd | CD1 B:Leu41 | 4.89 | | Cd | NE2 B:His42 | 2.32 | | Cd | ND1 B:His42 | 4.36 | | Cd | CD2 B:His42 | 3.36 | | Cd | CE1 B:His42 | 3.20 | | Cd | CG B:His42 | 4.47 | | Cd | O A:Hoh2076 | 4.24 | | Cd | O A:Hoh2077 | 4.69 | | Cd | O B:Hoh2049 | 2.00 | | Cd | O B:Hoh2050 | 4.77 | | Cd | O B:Hoh2052 | 4.35 |
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