Chlorine in PDB 6awn: X-Ray Structure of the S439T Human Serotonin Transporter Complexed with Paroxetine at the Central Site

The structure of X-Ray Structure of the S439T Human Serotonin Transporter Complexed with Paroxetine at the Central Site, PDB code: 6awn was solved by J.A.Coleman, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.26 / 3.62
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	129.150, 162.840, 140.820, 90.00, 90.00, 90.00
R / Rfree (%)	25.6 / 26.3

The structure of X-Ray Structure of the S439T Human Serotonin Transporter Complexed with Paroxetine at the Central Site also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the X-Ray Structure of the S439T Human Serotonin Transporter Complexed with Paroxetine at the Central Site (pdb code 6awn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Structure of the S439T Human Serotonin Transporter Complexed with Paroxetine at the Central Site, PDB code: 6awn:

Chlorine binding site 1 out of 1 in the X-Ray Structure of the S439T Human Serotonin Transporter Complexed with Paroxetine at the Central Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the S439T Human Serotonin Transporter Complexed with Paroxetine at the Central Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl706 b:0.7 occ:1.00 OH A:TYR121 2.4 0.1 1.0 NE2 A:GLN332 3.3 0.1 1.0 OG A:SER372 3.3 0.2 1.0 CZ A:TYR121 3.3 0.2 1.0 OG A:SER336 3.4 0.8 1.0 CE1 A:TYR121 3.6 0.9 1.0 CB A:SER336 3.7 0.2 1.0 CB A:SER372 3.8 0.2 1.0 CD1 A:PHE105 3.9 0.1 1.0 ND2 A:ASN368 4.0 0.0 1.0 CG A:GLN332 4.2 0.1 1.0 CG A:PHE105 4.2 0.8 1.0 CD A:GLN332 4.2 0.1 1.0 CB A:PHE105 4.3 0.9 1.0 ND2 A:ASN101 4.3 0.2 1.0 CE2 A:TYR121 4.5 0.9 1.0 CE1 A:PHE105 4.6 0.0 1.0 O A:ASN368 4.8 1.0 1.0 CD1 A:TYR121 4.9 0.4 1.0 CA A:CYS369 4.9 0.1 1.0 O A:GLN332 5.0 0.9 1.0

J.A.Coleman, E.Gouaux. Structural Basis For Recognition of Diverse Antidepressants By the Human Serotonin Transporter. Nat. Struct. Mol. Biol. V. 25 170 2018.
ISSN: ESSN 1545-9985
PubMed: 29379174
DOI: 10.1038/S41594-018-0026-8