Bromine in PDB 1e5a: Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding

The structure of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding, PDB code: 1e5a was solved by M.Ghosh, I.A.T.M.Meerts, A.Cook, A.Bergman, A.Brouwer, L.N.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.800, 84.900, 64.400, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 26.2

The binding sites of Bromine atom in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding (pdb code 1e5a). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding, PDB code: 1e5a:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Br999 b:50.7 occ:0.50 BR2 A:TBP999 0.0 50.7 0.5 C2 A:TBP999 1.8 33.6 0.5 C1 A:TBP999 2.9 47.3 0.5 C3 A:TBP999 2.9 51.5 0.5 O1 A:TBP999 3.0 54.8 0.5 CD1 A:LEU17 3.6 17.2 0.8 NZ A:LYS15 4.1 21.9 0.7 C6 A:TBP999 4.2 36.2 0.5 C4 A:TBP999 4.2 46.8 0.5 CE A:LYS15 4.2 20.3 0.7 C5 A:TBP999 4.6 43.5 0.5 CG A:LEU17 4.7 13.1 1.0 CD2 A:LEU17 4.8 12.7 0.8

Bromine binding site 2 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Br999 b:51.4 occ:0.50 BR4 A:TBP999 0.0 51.4 0.5 C4 A:TBP999 1.9 46.8 0.5 C3 A:TBP999 2.8 51.5 0.5 C5 A:TBP999 2.9 43.5 0.5 O A:HOH2083 3.9 21.5 1.0 C6 A:TBP999 4.1 36.2 0.5 C2 A:TBP999 4.2 33.6 0.5 OG1 A:THR119 4.3 21.9 0.8 CB A:ALA108 4.4 18.3 1.0 C1 A:TBP999 4.7 47.3 0.5 CB A:THR119 4.7 20.9 1.0

Bromine binding site 3 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Br999 b:41.1 occ:0.50 BR6 A:TBP999 0.0 41.1 0.5 C6 A:TBP999 1.9 36.2 0.5 C1 A:TBP999 2.8 47.3 0.5 C5 A:TBP999 2.9 43.5 0.5 O1 A:TBP999 3.0 54.8 0.5 CG2 A:THR106 4.1 17.1 1.0 C4 A:TBP999 4.1 46.8 0.5 C2 A:TBP999 4.2 33.6 0.5 CB A:ALA108 4.4 18.3 1.0 CD A:LYS15 4.4 22.3 1.0 CG2 A:VAL121 4.5 16.7 1.0 C3 A:TBP999 4.6 51.5 0.5

Bromine binding site 4 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Br999 b:52.4 occ:0.50 BR2 B:TBP999 0.0 52.4 0.5 C2 B:TBP999 1.8 56.9 0.5 C1 B:TBP999 2.9 50.9 0.5 C3 B:TBP999 2.9 34.8 0.5 O1 B:TBP999 3.0 51.5 0.5 CG2 B:THR106 3.9 20.5 1.0 C6 B:TBP999 4.2 49.2 0.5 C4 B:TBP999 4.2 33.1 0.5 CD B:LYS15 4.5 22.8 0.8 C5 B:TBP999 4.6 46.2 0.5 CG2 B:VAL121 4.6 22.8 1.0 CB B:ALA108 4.7 18.4 1.0 CB B:THR106 4.8 19.1 1.0

Bromine binding site 5 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Br999 b:38.1 occ:0.50 BR4 B:TBP999 0.0 38.1 0.5 C4 B:TBP999 1.9 33.1 0.5 C3 B:TBP999 2.8 34.8 0.5 C5 B:TBP999 2.9 46.2 0.5 O B:HOH2024 3.3 3.7 0.5 O B:HOH2060 3.8 25.5 1.0 CB B:ALA108 4.0 18.4 1.0 C6 B:TBP999 4.1 49.2 0.5 C2 B:TBP999 4.2 56.9 0.5 OG1 B:THR119 4.3 17.4 0.8 CB B:THR119 4.5 18.8 1.0 C1 B:TBP999 4.7 50.9 0.5

Bromine binding site 6 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Br999 b:46.6 occ:0.50 BR6 B:TBP999 0.0 46.6 0.5 C6 B:TBP999 1.9 49.2 0.5 C1 B:TBP999 2.8 50.9 0.5 C5 B:TBP999 2.9 46.2 0.5 O1 B:TBP999 3.0 51.5 0.5 CD1 B:LEU17 3.7 22.2 1.0 NZ B:LYS15 3.9 26.5 0.8 C4 B:TBP999 4.1 33.1 0.5 C2 B:TBP999 4.2 56.9 0.5 CE B:LYS15 4.2 24.2 0.8 C3 B:TBP999 4.6 34.8 0.5 CG B:LEU17 4.7 19.7 1.0 CD2 B:LEU17 4.7 20.4 1.0 CD B:LYS15 4.9 22.8 0.8

M.Ghosh, I.A.T.M.Meerts, A.Cook, A.Bergman, A.Brouwer, L.N.Johnson. Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding Acta Crystallogr.,Sect.D V. 56 1085 2000.
ISSN: ISSN 0907-4449
PubMed: 10957627
DOI: 10.1107/S0907444900008568