Bromine in PDB 4pm1: Human Transthyretin (Ttr) Complexed with 16-Alpha-Bromo-Estradiol

The structure of Human Transthyretin (Ttr) Complexed with 16-Alpha-Bromo-Estradiol, PDB code: 4pm1 was solved by E.A.Stura, L.Ciccone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.07 / 1.23
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.202, 86.134, 63.395, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21.1

The binding sites of Bromine atom in the Human Transthyretin (Ttr) Complexed with 16-Alpha-Bromo-Estradiol (pdb code 4pm1). 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 16-Alpha-Bromo-Estradiol, PDB code: 4pm1:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Human Transthyretin (Ttr) Complexed with 16-Alpha-Bromo-Estradiol


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 16-Alpha-Bromo-Estradiol within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:19.8 occ:0.41 BR2 A:ESZ201 0.0 19.8 0.4 C8 A:ESZ201 2.0 13.9 0.4 C9 A:ESZ201 2.9 17.7 0.4 C7 A:ESZ201 3.0 17.0 0.4 OG1 A:THR119 3.1 11.0 0.6 O A:SER117 3.2 8.2 0.2 OG A:SER117 3.3 13.2 0.6 O A:SER117 3.3 8.6 0.2 CB A:THR119 3.7 10.2 0.6 C A:SER117 3.7 10.5 0.2 O1 A:ESZ201 3.8 18.0 0.4 C A:SER117 3.8 10.5 0.2 OG A:SER117 3.8 9.1 0.2 N A:THR119 3.8 9.7 0.4 C10 A:ESZ201 3.8 19.4 0.4 O A:ALA108 3.9 11.8 1.0 N A:LEU110 3.9 7.8 1.0 N A:THR119 3.9 9.6 0.6 O A:SER117 4.0 7.9 0.6 CB A:LEU110 4.0 8.8 1.0 CA A:THR118 4.1 12.7 1.0 C A:SER117 4.1 9.8 0.6 O A:HOH322 4.1 15.4 0.5 C5 A:ESZ201 4.1 17.2 0.4 C A:ALA108 4.1 8.6 1.0 N A:THR118 4.2 10.8 1.0 C A:THR118 4.2 11.2 1.0 CB A:SER117 4.2 12.7 0.2 CG2 A:THR119 4.2 15.7 0.4 CA A:ALA109 4.2 7.8 1.0 C A:ALA109 4.2 8.0 1.0 CB A:THR119 4.2 10.8 0.4 CB A:SER117 4.3 12.6 0.2 CB A:SER117 4.3 13.8 0.6 N A:ALA109 4.3 8.0 1.0 CB A:ALA108 4.4 12.3 1.0 CA A:THR119 4.5 8.6 0.6 CA A:LEU110 4.6 7.4 1.0 CA A:SER117 4.6 9.2 0.2 CA A:THR119 4.6 8.8 0.4 CA A:SER117 4.7 9.2 0.2 CA A:SER117 4.8 9.8 0.6 CA A:ALA108 4.9 9.0 1.0 CG2 A:THR119 5.0 10.5 0.6 O A:THR118 5.0 13.8 1.0 O A:ALA109 5.0 9.7 1.0

Bromine binding site 2 out of 2 in the Human Transthyretin (Ttr) Complexed with 16-Alpha-Bromo-Estradiol


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 16-Alpha-Bromo-Estradiol within 5.0Å range: probe atom residue distance (Å) B Occ B:Br203 b:17.5 occ:0.43 BR2 B:ESZ203 0.0 17.5 0.4 C8 B:ESZ203 2.0 12.4 0.4 C7 B:ESZ203 2.9 14.7 0.4 C9 B:ESZ203 2.9 15.4 0.4 O B:SER117 3.4 9.3 0.5 CG2 B:THR119 3.4 15.7 0.3 OG1 B:THR119 3.4 16.1 0.7 OG B:SER117 3.4 16.5 0.5 O1 B:ESZ203 3.7 16.6 0.4 C10 B:ESZ203 3.8 11.9 0.4 C B:SER117 3.8 9.0 0.5 OG B:SER117 3.9 11.3 0.5 N B:LEU110 3.9 7.4 1.0 N B:THR119 3.9 9.7 0.3 O B:SER117 3.9 7.6 0.5 N B:THR119 3.9 9.7 0.7 O B:ALA108 4.0 10.3 1.0 OG1 B:THR119 4.0 15.6 0.3 CA B:THR118 4.0 9.8 1.0 CB B:LEU110 4.0 9.3 1.0 C B:SER117 4.1 8.4 0.5 C5 B:ESZ203 4.1 14.1 0.4 CA B:ALA109 4.1 9.2 1.0 N B:THR118 4.1 9.1 1.0 C B:THR118 4.1 10.7 1.0 C B:ALA108 4.2 8.4 1.0 C B:ALA109 4.2 7.8 1.0 CB B:THR119 4.2 11.6 0.7 O B:HOH320 4.2 15.2 0.5 CB B:THR119 4.2 11.8 0.3 N B:ALA109 4.3 8.1 1.0 CB B:SER117 4.3 11.9 0.5 CB B:SER117 4.3 13.9 0.5 CB B:ALA108 4.4 11.6 1.0 CA B:LEU110 4.6 7.6 1.0 CA B:THR119 4.7 9.3 0.3 CA B:THR119 4.7 9.3 0.7 CA B:SER117 4.7 8.0 0.5 CA B:SER117 4.8 8.2 0.5 O B:ALA109 4.9 9.8 1.0 O B:THR118 4.9 13.0 1.0 CA B:ALA108 5.0 10.2 1.0 C6 B:ESZ203 5.0 17.3 0.4

L.Ciccone, L.Tepshi, S.Nencetti, E.A.Stura. Transthyretin Complexes with Curcumin and Bromo-Estradiol: Evaluation of Solubilizing Multicomponent Mixtures. N Biotechnol V. 32 54 2014.
ISSN: ISSN 1876-4347
PubMed: 25224922
DOI: 10.1016/J.NBT.2014.09.002