Chlorine in PDB 4xp5: X-Ray Structure of Drosophila Dopamine Transporter Bound to Cocaine Analogue-RTI55

The structure of X-Ray Structure of Drosophila Dopamine Transporter Bound to Cocaine Analogue-RTI55, PDB code: 4xp5 was solved by E.Gouaux, A.Penmatsa, K.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.28 / 3.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	95.250, 137.980, 163.390, 90.00, 90.00, 90.00
R / Rfree (%)	24.5 / 28.6

The structure of X-Ray Structure of Drosophila Dopamine Transporter Bound to Cocaine Analogue-RTI55 also contains other interesting chemical elements:

Iodine	(I)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the X-Ray Structure of Drosophila Dopamine Transporter Bound to Cocaine Analogue-RTI55 (pdb code 4xp5). 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 Bound to Cocaine Analogue-RTI55, PDB code: 4xp5:

Chlorine binding site 1 out of 1 in the X-Ray Structure of Drosophila Dopamine Transporter Bound to Cocaine Analogue-RTI55


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 Bound to Cocaine Analogue-RTI55 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl607 b:76.5 occ:1.00 OG A:SER320 2.6 67.9 1.0 NE2 A:GLN316 3.1 68.4 1.0 OG A:SER356 3.2 64.5 1.0 CB A:SER320 3.3 67.0 1.0 OH A:TYR69 3.4 53.9 1.0 CB A:SER356 3.9 54.3 1.0 ND2 A:ASN352 4.1 67.5 1.0 ND2 A:ASN49 4.1 65.4 1.0 CD A:GLN316 4.1 62.2 1.0 CB A:PHE53 4.2 57.2 1.0 CG A:GLN316 4.3 57.8 1.0 CD1 A:PHE53 4.4 61.0 1.0 CG A:PHE53 4.4 61.0 1.0 CZ A:TYR69 4.4 59.4 1.0 CE1 A:TYR69 4.5 63.1 1.0 NA A:NA606 4.5 66.7 1.0 CG A:ASN49 4.6 65.9 1.0 CA A:SER320 4.6 62.5 1.0 CA A:SER353 4.8 54.7 1.0 CA A:ASN49 4.9 59.0 1.0 O A:ASN352 4.9 56.4 1.0 CG A:ASN352 5.0 62.5 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