The binding sites of Bromine atom in the structure of Bromoderivative-8 Of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 (pdb code 3sgn). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 3sgn structure was solved by A.LAGANOWSKY, M.R.SAWAYA, D.CASCIO, D.EISENBERG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 35.2-2.8 | | Space group | I213 | | a (A) | 70.342 | | b (A) | 70.342 | | c (A) | 70.342 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 21 | | Rfree (%) | 22.7 |
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Bromine binding site 1 out of 2 in 3sgn
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3sgn. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Asp7, A: A8e8, B: Val2, B: Lys3, B: Val4, | conact list:
| Atom | Atom | Distance (A) | | Br | O A:Asp7 | 4.90 | | Br | C A:Asp7 | 4.68 | | Br | N A:A8e8 | 3.89 | | Br | CB A:A8e8 | 2.73 | | Br | CD1 A:A8e8 | 2.76 | | Br | BR A:A8e8 | 0.00 | | Br | C A:A8e8 | 4.73 | | Br | CG A:A8e8 | 1.91 | | Br | CA A:A8e8 | 3.35 | | Br | CG1 B:Val2 | 4.41 | | Br | O B:Lys3 | 4.46 | | Br | CB B:Val4 | 4.92 | | Br | CG2 B:Val4 | 3.61 |
| interactive model:
| Bromine binding site 2 out of 2 in 3sgn
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 3sgn. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Val2, A: Lys3, A: Val4, B: Asp7, B: A8e8, | conact list:
| Atom | Atom | Distance (A) | | Br | CG1 A:Val2 | 4.38 | | Br | O A:Lys3 | 4.45 | | Br | CB A:Val4 | 4.91 | | Br | CG2 A:Val4 | 3.57 | | Br | O B:Asp7 | 4.85 | | Br | C B:Asp7 | 4.62 | | Br | N B:A8e8 | 3.81 | | Br | CB B:A8e8 | 2.73 | | Br | CD1 B:A8e8 | 2.78 | | Br | BR B:A8e8 | 0.00 | | Br | C B:A8e8 | 4.71 | | Br | CG B:A8e8 | 1.92 | | Br | CA B:A8e8 | 3.31 |
| interactive model:
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