Chlorine in PDB 3gwu: Leucine Transporter Leut in Complex with Sertraline

The structure of Leucine Transporter Leut in Complex with Sertraline, PDB code: 3gwu was solved by Z.Zhou, J.Zhen, N.K.Karpowich, C.J.Law, M.E.A.Reith, D.N.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.54 / 2.14
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.338, 86.850, 81.308, 90.00, 95.65, 90.00
R / Rfree (%)	20.3 / 22.7

The structure of Leucine Transporter Leut in Complex with Sertraline also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Leucine Transporter Leut in Complex with Sertraline (pdb code 3gwu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Leucine Transporter Leut in Complex with Sertraline, PDB code: 3gwu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Leucine Transporter Leut in Complex with Sertraline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Leucine Transporter Leut in Complex with Sertraline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:33.3 occ:1.00 CL19 A:SRE801 0.0 33.3 1.0 C16 A:SRE801 1.8 33.2 1.0 C15 A:SRE801 2.7 32.9 1.0 C17 A:SRE801 2.8 33.4 1.0 CL20 A:SRE801 3.0 32.9 1.0 CZ A:PHE253 3.6 25.9 1.0 CE1 A:TYR108 3.7 21.8 1.0 CD1 A:TYR108 3.7 21.7 1.0 CB A:LEU25 4.0 23.9 1.0 C14 A:SRE801 4.0 32.5 1.0 CD1 A:ILE111 4.1 22.5 1.0 CD1 A:LEU25 4.1 24.1 1.0 C18 A:SRE801 4.1 33.1 1.0 CE2 A:PHE253 4.2 25.2 1.0 C13 A:SRE801 4.6 32.3 1.0 CE1 A:PHE253 4.7 25.6 1.0 CG A:LEU25 4.7 24.2 1.0 CZ A:TYR108 4.7 22.1 1.0 CG A:TYR108 4.7 22.0 1.0 CG2 A:ILE111 5.0 22.1 1.0

Chlorine binding site 2 out of 2 in the Leucine Transporter Leut in Complex with Sertraline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Leucine Transporter Leut in Complex with Sertraline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:32.9 occ:1.00 CL20 A:SRE801 0.0 32.9 1.0 C15 A:SRE801 1.8 32.9 1.0 C16 A:SRE801 2.7 33.2 1.0 C14 A:SRE801 2.8 32.5 1.0 CL19 A:SRE801 3.0 33.3 1.0 CB A:LEU29 3.4 24.6 1.0 N A:ARG30 3.9 24.8 1.0 CD1 A:LEU29 3.9 25.0 1.0 O A:LEU25 4.0 23.8 1.0 C17 A:SRE801 4.0 33.4 1.0 C13 A:SRE801 4.1 32.3 1.0 CB A:ARG30 4.1 24.7 1.0 CB A:LEU25 4.2 23.9 1.0 CE1 A:PHE320 4.3 27.5 1.0 CA A:ARG30 4.3 24.6 1.0 C A:LEU29 4.3 24.8 1.0 CG A:LEU29 4.3 25.1 1.0 O A:HOH944 4.4 26.4 1.0 C A:LEU25 4.4 23.6 1.0 CA A:LEU29 4.5 24.8 1.0 C18 A:SRE801 4.6 33.1 1.0 CG A:ARG30 4.7 25.0 1.0 CD1 A:PHE320 4.9 27.6 1.0 CA A:LEU25 4.9 23.6 1.0 N A:GLY26 5.0 23.6 1.0

Z.Zhou, J.Zhen, N.K.Karpowich, C.J.Law, M.E.Reith, D.N.Wang. Antidepressant Specificity of Serotonin Transporter Suggested By Three Leut-Ssri Structures. Nat.Struct.Mol.Biol. V. 16 652 2009.
ISSN: ISSN 1545-9993
PubMed: 19430461
DOI: 10.1038/NSMB.1602