Bromine in PDB 3sgm: Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100

The structure of Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100, PDB code: 3sgm was solved by A.Laganowsky, M.R.Sawaya, D.Cascio, D.Eisenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.00 / 1.70
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	65.995, 65.995, 65.995, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 24

The binding sites of Bromine atom in the Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 (pdb code 3sgm). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100, PDB code: 3sgm:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in the Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br2 b:21.6 occ:0.77 BR A:A8E2 0.0 21.6 0.8 CG A:A8E2 1.5 20.9 1.0 CD1 A:A8E2 2.5 19.7 1.0 CB A:A8E2 2.7 19.6 1.0 CG1 B:VAL8 4.1 12.9 1.0 CA A:A8E2 4.1 18.6 1.0 N A:A8E2 4.8 20.4 1.0

Bromine binding site 2 out of 6 in the Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br2 b:27.7 occ:0.52 BR B:A8E2 0.0 27.7 0.5 CD1 B:A8E2 1.0 27.3 0.5 CG B:A8E2 1.5 26.4 0.5 CG B:A8E2 2.2 27.1 0.5 CD1 B:A8E2 2.4 27.6 0.5 CB B:A8E2 2.6 22.9 0.5 CA B:A8E2 3.1 20.0 0.5 CA B:A8E2 3.2 20.0 0.5 CB B:A8E2 3.2 22.9 0.5 BR B:A8E2 3.3 34.5 0.5 N B:A8E2 3.7 20.6 1.0 O A:ILE9 4.0 17.1 1.0 CG1 A:VAL8 4.2 14.0 1.0 C B:LYS1 4.3 22.3 1.0 CA A:GLU10 4.3 18.0 1.0 CB A:GLU10 4.4 23.1 1.0 O B:LYS1 4.4 20.7 1.0 C A:ILE9 4.4 17.0 1.0 C B:A8E2 4.5 18.3 1.0 N A:GLU10 4.5 16.7 1.0 CG A:GLU10 4.6 28.4 1.0 N B:LYS3 4.9 14.0 1.0

Bromine binding site 3 out of 6 in the Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br2 b:34.5 occ:0.48 BR B:A8E2 0.0 34.5 0.5 CG B:A8E2 1.5 27.1 0.5 CD1 B:A8E2 1.5 27.6 0.5 CG B:A8E2 2.1 26.4 0.5 CD1 B:A8E2 2.4 27.3 0.5 CB B:A8E2 2.6 22.9 0.5 CB B:A8E2 2.8 22.9 0.5 BR B:A8E2 3.3 27.7 0.5 CA B:A8E2 4.1 20.0 0.5 CA B:A8E2 4.2 20.0 0.5 CG1 A:VAL8 4.2 14.0 1.0 N B:A8E2 4.8 20.6 1.0

Bromine binding site 4 out of 6 in the Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br2 b:39.2 occ:0.35 BR C:A8E2 0.0 39.2 0.3 CD1 C:A8E2 0.2 26.2 0.7 CG C:A8E2 1.3 32.7 0.7 CG C:A8E2 1.5 32.8 0.3 BR C:A8E2 2.3 37.8 0.7 CD1 C:A8E2 2.4 26.4 0.3 CB C:A8E2 2.6 30.9 0.7 CB C:A8E2 2.6 30.9 0.3 CA C:A8E2 3.9 29.4 0.7 CA C:A8E2 3.9 29.4 0.3 CG1 D:VAL8 4.3 18.3 1.0 N C:A8E2 4.5 31.0 1.0

Bromine binding site 5 out of 6 in the Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br2 b:37.8 occ:0.65 BR C:A8E2 0.0 37.8 0.7 CD1 C:A8E2 0.3 26.4 0.3 CG C:A8E2 1.4 32.8 0.3 CG C:A8E2 1.5 32.7 0.7 BR C:A8E2 2.3 39.2 0.3 CD1 C:A8E2 2.4 26.2 0.7 CB C:A8E2 2.6 30.9 0.7 CB C:A8E2 2.7 30.9 0.3 CA C:A8E2 3.1 29.4 0.7 CA C:A8E2 3.1 29.4 0.3 N C:A8E2 3.7 31.0 1.0 CG1 D:VAL8 4.0 18.3 1.0 C C:LYS1 4.3 32.8 1.0 O D:ILE9 4.3 28.0 1.0 O C:LYS1 4.4 32.3 1.0 C C:A8E2 4.5 28.1 1.0 OE2 D:GLU10 4.5 41.9 1.0 CB D:GLU10 4.6 35.3 1.0 CD D:GLU10 4.7 40.8 1.0 CA D:GLU10 4.7 33.1 1.0 CG D:GLU10 4.7 37.9 1.0 C D:ILE9 4.8 28.1 1.0 N D:GLU10 4.9 29.9 1.0 N C:LYS3 4.9 23.6 1.0

Bromine binding site 6 out of 6 in the Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Bromoderivative-2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 within 5.0Å range: probe atom residue distance (Å) B Occ D:Br2 b:18.3 occ:0.80 BR D:A8E2 0.0 18.3 0.8 CG D:A8E2 1.5 16.6 1.0 CD1 D:A8E2 2.5 16.4 1.0 CB D:A8E2 2.7 14.0 1.0 CA D:A8E2 4.1 13.6 1.0 CG1 C:VAL8 4.2 11.8 1.0 N D:A8E2 4.8 15.7 1.0

A.Laganowsky, C.Liu, M.R.Sawaya, J.P.Whitelegge, J.Park, M.Zhao, A.Pensalfini, A.B.Soriaga, M.Landau, P.K.Teng, D.Cascio, C.Glabe, D.Eisenberg. Atomic View of A Toxic Amyloid Small Oligomer. Science V. 335 1228 2012.
ISSN: ISSN 0036-8075
PubMed: 22403391
DOI: 10.1126/SCIENCE.1213151