Chlorine in PDB 4xpb: X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to Cocaine

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to Cocaine, PDB code: 4xpb 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)	48.33 / 3.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.498, 139.963, 166.959, 90.00, 90.00, 90.00
R / Rfree (%)	24.4 / 26.9

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 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 with Subsiteb Mutations (D121G/S426M) Bound to Cocaine (pdb code 4xpb). 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 with Subsiteb Mutations (D121G/S426M) Bound to Cocaine, PDB code: 4xpb:

Chlorine binding site 1 out of 1 in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 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 with Subsiteb Mutations (D121G/S426M) Bound to Cocaine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl707 b:0.3 occ:1.00 OG A:SER356 2.9 92.4 1.0 NE2 A:GLN316 2.9 0.8 1.0 OG A:SER320 3.1 0.3 1.0 OH A:TYR69 3.5 0.8 1.0 CB A:SER356 3.5 87.9 1.0 CB A:SER320 3.7 91.4 1.0 CD A:GLN316 4.0 0.9 1.0 ND2 A:ASN49 4.0 89.8 1.0 CB A:PHE53 4.0 90.4 1.0 CD1 A:PHE53 4.2 0.2 1.0 CG A:PHE53 4.2 98.6 1.0 CG A:GLN316 4.3 93.1 1.0 ND2 A:ASN352 4.3 93.8 1.0 CZ A:TYR69 4.4 0.1 1.0 CE1 A:TYR69 4.5 0.2 1.0 CG A:ASN49 4.5 95.8 1.0 O A:ASN352 4.7 94.4 1.0 CA A:ASN49 4.7 93.7 1.0 O A:HOH801 4.9 0.0 1.0 NA A:NA701 4.9 89.8 1.0 CA A:SER353 4.9 86.9 1.0 OE1 A:GLN316 4.9 0.9 1.0 CA A:SER356 5.0 91.2 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