Bromine in PDB 5e23: Human Transthyretin (Ttr) Complexed with (2,7-Dibromo-Fluoren-9- Ylideneaminooxy)-Acetic Acid

The structure of Human Transthyretin (Ttr) Complexed with (2,7-Dibromo-Fluoren-9- Ylideneaminooxy)-Acetic Acid, PDB code: 5e23 was solved by L.Ciccone, S.Nencetti, A.Rossello, E.Orlandini, E.A.Stura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.98 / 1.41
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.222, 85.961, 63.348, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 19.7

The binding sites of Bromine atom in the Human Transthyretin (Ttr) Complexed with (2,7-Dibromo-Fluoren-9- Ylideneaminooxy)-Acetic Acid (pdb code 5e23). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Human Transthyretin (Ttr) Complexed with (2,7-Dibromo-Fluoren-9- Ylideneaminooxy)-Acetic Acid, PDB code: 5e23:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Human Transthyretin (Ttr) Complexed with (2,7-Dibromo-Fluoren-9- Ylideneaminooxy)-Acetic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Transthyretin (Ttr) Complexed with (2,7-Dibromo-Fluoren-9- Ylideneaminooxy)-Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:19.9 occ:0.37 BR2 A:L32201 0.0 19.9 0.4 C12 A:L32201 1.9 16.1 0.5 C13 A:L32201 2.8 15.3 0.4 C11 A:L32201 2.9 21.0 0.4 CG2 A:VAL121 3.5 19.8 1.0 O A:THR106 3.5 12.2 1.0 CG2 A:THR106 3.6 16.8 1.0 CB A:ALA108 3.8 13.6 1.0 CB A:VAL121 3.8 14.0 1.0 O A:THR119 3.9 8.8 0.3 N A:VAL121 3.9 10.0 1.0 CB A:THR106 4.0 14.5 1.0 CG2 A:THR119 4.1 19.5 0.3 C08 A:L32201 4.1 17.4 0.4 C A:THR106 4.1 12.1 1.0 C10 A:L32201 4.2 22.0 0.5 N A:ALA108 4.2 11.5 1.0 O A:THR119 4.4 11.3 0.7 C A:ALA120 4.4 11.0 1.0 CA A:VAL121 4.5 13.1 1.0 C A:THR119 4.5 10.4 0.3 CG2 A:THR119 4.5 12.2 0.7 CA A:ALA108 4.6 11.7 1.0 C09 A:L32201 4.6 20.2 0.5 CA A:ALA120 4.7 10.1 1.0 C A:THR119 4.7 9.7 0.7 CA A:THR106 4.7 11.3 1.0 C A:ILE107 4.8 11.4 1.0 N A:ILE107 4.8 11.4 1.0 CB A:THR119 4.9 11.6 0.7 N A:ALA120 4.9 10.3 1.0

Bromine binding site 2 out of 2 in the Human Transthyretin (Ttr) Complexed with (2,7-Dibromo-Fluoren-9- Ylideneaminooxy)-Acetic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Human Transthyretin (Ttr) Complexed with (2,7-Dibromo-Fluoren-9- Ylideneaminooxy)-Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:16.9 occ:0.40 BR1 A:L32201 0.0 16.9 0.4 C05 A:L32201 1.9 14.2 0.5 C04 A:L32201 2.8 16.9 0.4 C06 A:L32201 2.9 16.9 0.5 C03 A:L32201 4.1 18.1 0.4 C01 A:L32201 4.2 22.3 0.5 CD1 A:LEU17 4.3 20.4 1.0 C02 A:L32201 4.6 18.5 0.5

L.Ciccone, S.Nencetti, A.Rossello, E.A.Stura, E.Orlandini. Synthesis and Structural Analysis of Halogen Substituted Fibril Formation Inhibitors of Human Transthyretin (Ttr). J Enzyme Inhib Med Chem V. 31 40 2016.
ISSN: ESSN 1475-6374
PubMed: 27067161
DOI: 10.3109/14756366.2016.1167048