Chlorine in PDB 4xpg: X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to Beta-Cft or WIN35428

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to Beta-Cft or WIN35428, PDB code: 4xpg was solved by A.Penmatsa, K.H.Wang, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.39 / 3.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.110, 140.080, 167.440, 90.00, 90.00, 90.00
R / Rfree (%)	25.1 / 27.4

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to Beta-Cft or WIN35428 also contains other interesting chemical elements:

Fluorine	(F)	1 atom
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 Beta-Cft or WIN35428 (pdb code 4xpg). 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 Beta-Cft or WIN35428, PDB code: 4xpg:

Chlorine binding site 1 out of 1 in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to Beta-Cft or WIN35428


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 Beta-Cft or WIN35428 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:83.2 occ:1.00 OH A:TYR69 2.8 77.0 1.0 OG A:SER320 3.1 79.9 1.0 OG A:SER356 3.2 76.6 1.0 CB A:SER320 3.5 71.8 1.0 NE2 A:GLN316 3.5 81.1 1.0 CZ A:TYR69 3.7 70.7 1.0 CB A:SER356 3.8 66.8 1.0 CE1 A:TYR69 3.8 71.7 1.0 ND2 A:ASN352 4.2 69.0 1.0 CG A:GLN316 4.2 73.0 1.0 CD A:GLN316 4.4 80.6 1.0 CD1 A:PHE53 4.4 74.6 1.0 CA A:SER353 4.5 59.8 1.0 OD1 A:ASN49 4.5 78.6 1.0 OG A:SER353 4.5 54.6 1.0 CG A:PHE53 4.6 73.0 1.0 CB A:PHE53 4.7 71.9 1.0 O A:GLN316 4.7 78.8 1.0 O A:ASN352 4.8 60.0 1.0 CE1 A:PHE53 4.9 68.8 1.0 CG A:ASN49 4.9 75.2 1.0 CB A:SER353 5.0 54.5 1.0 CE2 A:TYR69 5.0 67.4 1.0 CG A:ASN352 5.0 69.9 1.0

K.H.Wang, A.Penmatsa, E.Gouaux. Structural Basis For Neurotransmitter and Psycho Stimulant Recognition By the Drosophila Dopamine Transporter Nature 2015.
ISSN: ESSN 1476-4687