Bromine in PDB 5i74: X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with Br-Citalopram at the Central Site

The structure of X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with Br-Citalopram at the Central Site, PDB code: 5i74 was solved by J.A.Coleman, E.M.Green, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	101.68 / 3.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	129.590, 164.000, 140.170, 90.00, 90.00, 90.00
R / Rfree (%)	24.9 / 29.6

The binding sites of Bromine atom in the X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with Br-Citalopram at the Central Site (pdb code 5i74). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with Br-Citalopram at the Central Site, PDB code: 5i74:

Bromine binding site 1 out of 1 in the X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with Br-Citalopram at the Central Site


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with Br-Citalopram at the Central Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Br700 b:0.5 occ:1.00 BR A:69D700 0.0 0.5 1.0 C21 A:69D700 1.9 1.0 1.0 C19 A:69D700 2.9 0.3 1.0 C20 A:69D700 2.9 0.0 1.0 CB A:ALA173 3.5 0.3 1.0 OG A:SER439 3.9 0.8 1.0 CA A:ALA173 3.9 0.4 1.0 CD2 A:LEU443 4.0 0.8 1.0 ND2 A:ASN177 4.1 0.3 1.0 CG A:LEU443 4.1 0.2 1.0 C15 A:69D700 4.2 0.1 1.0 C16 A:69D700 4.2 0.4 1.0 N A:ALA173 4.3 0.6 1.0 O A:SER439 4.4 0.1 1.0 N A:LEU443 4.5 0.4 1.0 CA A:SER439 4.6 0.8 1.0 CB A:SER439 4.7 0.2 1.0 C A:GLY442 4.7 0.2 1.0 C10 A:69D700 4.7 0.7 1.0 CA A:GLY442 4.8 0.2 1.0 CD1 A:LEU443 4.9 0.3 1.0 C A:SER439 5.0 0.9 1.0

J.A.Coleman, E.M.Green, E.Gouaux. X-Ray Structures and Mechanism of the Human Serotonin Transporter. Nature V. 532 334 2016.
ISSN: ESSN 1476-4687
PubMed: 27049939
DOI: 10.1038/NATURE17629