Bromine in PDB 7rol: Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation, Bromo Derivative

The structure of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation, Bromo Derivative, PDB code: 7rol was solved by M.R.Sawaya, T.D.Do, D.S.Eisenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.98 / 2.00
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	36.93, 36.93, 24.9, 90, 90, 120
R / Rfree (%)	29.3 / 33.8

The binding sites of Bromine atom in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation, Bromo Derivative (pdb code 7rol). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation, Bromo Derivative, PDB code: 7rol:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation, Bromo Derivative


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation, Bromo Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Br5 b:62.7 occ:1.00 BR A:A8E5 0.0 62.7 1.0 CG A:A8E5 1.9 38.9 1.0 CD1 A:A8E5 2.8 40.0 1.0 CB A:A8E5 2.8 31.6 1.0 CA A:A8E5 3.1 29.5 1.0 N A:A8E5 3.7 27.4 1.0 O A:VAL4 4.0 36.9 1.0 C A:VAL4 4.2 38.3 1.0 C A:A8E5 4.5 31.9 1.0 O A:LYS3 4.8 39.2 1.0 CB A:LYS3 4.9 53.1 1.0

Bromine binding site 2 out of 2 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation, Bromo Derivative


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation, Bromo Derivative within 5.0Å range: probe atom residue distance (Å) B Occ B:Br5 b:57.8 occ:0.30 BR B:A8E5 0.0 57.8 0.3 CG B:A8E5 1.9 55.0 1.0 CD1 B:A8E5 2.9 55.6 1.0 CB B:A8E5 2.9 45.9 1.0 N B:TRP6 3.1 47.1 1.0 O B:TRP6 3.2 48.9 1.0 CA B:A8E5 3.4 39.5 1.0 C B:A8E5 3.5 38.0 1.0 C B:TRP6 3.6 48.7 1.0 CA B:TRP6 4.0 45.1 1.0 N B:ASP7 4.3 57.0 1.0 OXT B:A8E5 4.4 28.3 1.0 OD1 B:ASP7 4.5 83.8 1.0 CG B:ASP7 4.7 69.2 1.0 CB B:ASP7 4.7 67.0 1.0 N B:A8E5 4.8 38.8 1.0 CA B:ASP7 5.0 56.7 1.0

A.L.H.Gray, M.R.Sawaya, D.Acharyya, J.Lou, E.M.Edington, M.D.Best, R.A.Prosser, D.S.Eisenberg, T.D.Do. Atomic View of An Amyloid Dodecamer Exhibiting Selective Cellular Toxic Vulnerability in Acute Brain Slices. Protein Sci. V. 31 716 2022.
ISSN: ESSN 1469-896X
PubMed: 34954854
DOI: 10.1002/PRO.4268