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Bromine in PDB 3sgn: Bromoderivative-8 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100

Protein crystallography data

The structure of Bromoderivative-8 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100, PDB code: 3sgn 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) 35.17 / 2.81
Space group I 21 3
Cell size a, b, c (Å), α, β, γ (°) 70.342, 70.342, 70.342, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 22.7

Bromine Binding Sites:

The binding sites of Bromine atom in the Bromoderivative-8 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 (pdb code 3sgn). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Bromoderivative-8 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100, PDB code: 3sgn:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 3sgn

Go back to Bromine Binding Sites List in 3sgn
Bromine binding site 1 out of 2 in the Bromoderivative-8 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-8 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br8

b:70.4
occ:0.50
BR A:A8E8 0.0 70.4 0.5
CG A:A8E8 1.9 67.2 1.0
CB A:A8E8 2.7 70.7 1.0
CD1 A:A8E8 2.8 74.4 1.0
CA A:A8E8 3.3 73.4 1.0
CG2 B:VAL4 3.6 71.3 1.0
N A:A8E8 3.9 74.0 1.0
CG1 B:VAL2 4.4 72.8 1.0
O B:LYS3 4.5 74.5 1.0
C A:ASP7 4.7 73.4 1.0
C A:A8E8 4.7 75.5 1.0
O A:ASP7 4.9 73.3 1.0
CB B:VAL4 4.9 69.7 1.0

Bromine binding site 2 out of 2 in 3sgn

Go back to Bromine Binding Sites List in 3sgn
Bromine binding site 2 out of 2 in the Bromoderivative-8 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-8 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br8

b:69.4
occ:0.47
BR B:A8E8 0.0 69.4 0.5
CG B:A8E8 1.9 66.7 1.0
CB B:A8E8 2.7 70.5 1.0
CD1 B:A8E8 2.8 71.4 1.0
CA B:A8E8 3.3 74.1 1.0
CG2 A:VAL4 3.6 71.5 1.0
N B:A8E8 3.8 75.2 1.0
CG1 A:VAL2 4.4 71.2 1.0
O A:LYS3 4.5 73.3 1.0
C B:ASP7 4.6 74.3 1.0
C B:A8E8 4.7 75.7 1.0
O B:ASP7 4.9 74.1 1.0
CB A:VAL4 4.9 69.8 1.0

Reference:

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
Page generated: Sat Dec 12 02:15:30 2020

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