Bromine in PDB 3t4g: Aiiglmv Segment From Alzheimer'S Amyloid-Beta Displayed on 54-Membered Macrocycle Scaffold

The structure of Aiiglmv Segment From Alzheimer'S Amyloid-Beta Displayed on 54-Membered Macrocycle Scaffold, PDB code: 3t4g was solved by M.Zhao, C.Liu, P.N.Cheng, D.Eisenberg, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.12 / 1.70
Space group	P 2 3
Cell size a, b, c (Å), α, β, γ (°)	44.390, 44.390, 44.390, 90.00, 90.00, 90.00
R / Rfree (%)	23.6 / 27.4

The binding sites of Bromine atom in the Aiiglmv Segment From Alzheimer'S Amyloid-Beta Displayed on 54-Membered Macrocycle Scaffold (pdb code 3t4g). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Aiiglmv Segment From Alzheimer'S Amyloid-Beta Displayed on 54-Membered Macrocycle Scaffold, PDB code: 3t4g:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Aiiglmv Segment From Alzheimer'S Amyloid-Beta Displayed on 54-Membered Macrocycle Scaffold


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Aiiglmv Segment From Alzheimer'S Amyloid-Beta Displayed on 54-Membered Macrocycle Scaffold within 5.0Å range: probe atom residue distance (Å) B Occ A:Br12 b:47.1 occ:0.30 BR A:4BF12 0.0 47.1 0.3 CZ A:4BF12 1.9 41.0 0.3 CE2 A:4BF12 2.9 38.5 0.3 CE1 A:4BF12 3.0 37.1 0.3 CD2 A:4BF12 4.2 37.2 0.3 CD1 A:4BF12 4.2 39.3 0.3 CG A:4BF12 4.7 36.5 0.3

Bromine binding site 2 out of 2 in the Aiiglmv Segment From Alzheimer'S Amyloid-Beta Displayed on 54-Membered Macrocycle Scaffold


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Aiiglmv Segment From Alzheimer'S Amyloid-Beta Displayed on 54-Membered Macrocycle Scaffold within 5.0Å range: probe atom residue distance (Å) B Occ B:Br12 b:39.9 occ:0.30 BR B:4BF12 0.0 39.9 0.3 CZ B:4BF12 1.9 23.1 0.3 CE2 B:4BF12 2.9 16.8 0.3 CE1 B:4BF12 2.9 18.2 0.3 CD2 B:4BF12 4.2 26.1 0.3 CD1 B:4BF12 4.2 27.3 0.3 CG B:4BF12 4.7 27.3 0.3

P.N.Cheng, C.Liu, M.Zhao, D.Eisenberg, J.S.Nowick. Amyloid Beta-Sheet Mimics That Antagonize Protein Aggregation and Reduce Amyloid Toxicity. Nat Chem V. 4 927 2012.
ISSN: ISSN 1755-4330
PubMed: 23089868
DOI: 10.1038/NCHEM.1433