Bromine in PDB 6w2b: Anomalous Bromine Signal Reveals the Position of Br-Paroxetine Complexed with the Serotonin Transporter at the Central Site

The structure of Anomalous Bromine Signal Reveals the Position of Br-Paroxetine Complexed with the Serotonin Transporter at the Central Site, PDB code: 6w2b was solved by J.A.Coleman, V.Navratna, D.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.76 / 4.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	128.020, 161.910, 139.660, 90.00, 90.00, 90.00
R / Rfree (%)	25.9 / 29.3

The binding sites of Bromine atom in the Anomalous Bromine Signal Reveals the Position of Br-Paroxetine Complexed with the Serotonin Transporter at the Central Site (pdb code 6w2b). 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 Anomalous Bromine Signal Reveals the Position of Br-Paroxetine Complexed with the Serotonin Transporter at the Central Site, PDB code: 6w2b:

Bromine binding site 1 out of 1 in the Anomalous Bromine Signal Reveals the Position of Br-Paroxetine Complexed with the Serotonin Transporter 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 Anomalous Bromine Signal Reveals the Position of Br-Paroxetine Complexed with the Serotonin Transporter at the Central Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Br703 b:0.9 occ:1.01 BR1 A:RFS703 0.0 0.9 1.0 C10 A:RFS703 1.9 0.7 1.0 C11 A:RFS703 2.9 0.8 1.0 C09 A:RFS703 2.9 0.1 1.0 CE1 A:PHE335 3.0 0.6 1.0 CD1 A:PHE335 3.1 0.5 1.0 OG1 A:THR497 3.6 0.5 1.0 CG2 A:VAL501 3.7 0.8 1.0 CB A:THR497 3.8 0.1 1.0 CB A:VAL501 4.0 0.2 1.0 CG1 A:VAL501 4.1 0.8 1.0 C08 A:RFS703 4.1 0.5 1.0 C12 A:RFS703 4.2 0.2 1.0 CZ A:PHE335 4.2 1.0 1.0 CG A:PHE335 4.4 0.7 1.0 C A:THR497 4.5 0.5 1.0 O A:THR497 4.5 0.3 1.0 C07 A:RFS703 4.7 0.8 1.0 CA A:THR497 4.7 0.8 1.0 CD1 A:ILE172 4.7 0.5 1.0 N A:GLY498 4.8 0.7 1.0 CA A:GLY498 4.8 0.1 1.0 CG2 A:THR497 4.9 0.5 1.0

J.A.Coleman, V.Navratna, D.Antermite, D.Yang, J.Bull, E.Gouaux. Chemical and Structural Investigation of the Paroxetine-Human Serotonin Transporter Complex To Be Published.