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

Protein crystallography data

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

Bromine Binding Sites:

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 7rol

Go back to Bromine Binding Sites List in 7rol
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 7rol

Go back to Bromine Binding Sites List in 7rol
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

Reference:

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
Page generated: Tue Apr 4 17:37:31 2023

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