Chlorine in PDB 4xp4: X-Ray Structure of Drosophila Dopamine Transporter in Complex with Cocaine

The structure of X-Ray Structure of Drosophila Dopamine Transporter in Complex with Cocaine, PDB code: 4xp4 was solved by P.Aravind, K.Wang, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.88 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.063, 140.727, 166.688, 90.00, 90.00, 90.00
R / Rfree (%)	23.6 / 26.6

The structure of X-Ray Structure of Drosophila Dopamine Transporter in Complex with Cocaine also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the X-Ray Structure of Drosophila Dopamine Transporter in Complex with Cocaine (pdb code 4xp4). 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 Drosophila Dopamine Transporter in Complex with Cocaine, PDB code: 4xp4:

Chlorine binding site 1 out of 1 in the X-Ray Structure of Drosophila Dopamine Transporter in Complex with Cocaine


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 Drosophila Dopamine Transporter in Complex with Cocaine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl709 b:79.5 occ:1.00 OG A:SER356 3.0 67.5 1.0 OG A:SER320 3.0 58.4 1.0 OH A:TYR69 3.2 56.4 1.0 NE2 A:GLN316 3.2 65.4 1.0 CB A:SER320 3.5 61.1 1.0 CB A:SER356 3.7 63.5 1.0 CD1 A:PHE53 4.1 66.5 1.0 CZ A:TYR69 4.3 65.0 1.0 CB A:PHE53 4.3 61.5 1.0 CD A:GLN316 4.3 66.4 1.0 ND2 A:ASN49 4.3 56.1 1.0 CG A:GLN316 4.4 53.9 1.0 CE1 A:TYR69 4.4 63.6 1.0 CG A:PHE53 4.4 62.0 1.0 ND2 A:ASN352 4.5 57.9 1.0 NA A:NA707 4.8 62.3 1.0 CG A:ASN49 4.8 60.0 1.0 O A:ASN352 4.8 68.8 1.0 CE1 A:PHE53 4.9 66.0 1.0 CA A:SER353 4.9 61.7 1.0 O A:GLN316 4.9 63.0 1.0 CA A:SER320 4.9 57.1 1.0 O A:ALA48 4.9 64.9 1.0 OG A:SER353 5.0 63.7 1.0

K.H.Wang, A.Penmatsa, E.Gouaux. Neurotransmitter and Psychostimulant Recognition By the Dopamine Transporter. Nature 2015.
ISSN: ESSN 1476-4687
PubMed: 25970245
DOI: 10.1038/NATURE14431