Chlorine in PDB 4xnu: X-Ray Structure of Drosophila Dopamine Transporter in Complex with Nisoxetine

The structure of X-Ray Structure of Drosophila Dopamine Transporter in Complex with Nisoxetine, PDB code: 4xnu 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)	47.10 / 2.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.901, 133.667, 161.682, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 25.1

The structure of X-Ray Structure of Drosophila Dopamine Transporter in Complex with Nisoxetine 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 Nisoxetine (pdb code 4xnu). 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 Nisoxetine, PDB code: 4xnu:

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


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 Nisoxetine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:74.6 occ:1.00 OG A:SER320 2.8 71.9 1.0 NE2 A:GLN316 2.8 79.1 1.0 OG A:SER356 2.9 69.9 1.0 OH A:TYR69 3.3 68.1 1.0 CB A:SER320 3.4 69.5 1.0 CB A:SER356 3.7 71.4 1.0 CD A:GLN316 3.9 73.8 1.0 ND2 A:ASN49 4.1 68.1 1.0 CB A:PHE53 4.1 77.8 1.0 CG A:GLN316 4.1 74.2 1.0 CD1 A:PHE53 4.2 78.0 1.0 CZ A:TYR69 4.2 71.2 1.0 CG A:PHE53 4.2 76.8 1.0 CE1 A:TYR69 4.3 72.4 1.0 ND2 A:ASN352 4.4 73.2 1.0 CG A:ASN49 4.6 74.1 1.0 CA A:ASN49 4.7 74.4 1.0 O A:ASN352 4.8 73.0 1.0 NA A:NA601 4.8 84.7 1.0 CB A:ASN49 4.9 72.4 1.0 CA A:SER320 4.9 70.0 1.0 CE1 A:PHE53 5.0 73.3 1.0 CA A:SER353 5.0 74.6 1.0 O A:GLN316 5.0 63.5 1.0

A.Penmatsa, K.H.Wang, E.Gouaux. X-Ray Structures of Drosophila Dopamine Transporter in Complex with Nisoxetine and Reboxetine. Nat.Struct.Mol.Biol. 2015.
ISSN: ESSN 1545-9985
PubMed: 25961798
DOI: 10.1038/NSMB.3029