Fluorine 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:

Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Fluorine 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 Fluorine atom.
In total only one binding site of Fluorine 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:

Fluorine 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 Fluorine with other atoms in the F 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:F701 b:67.2 occ:1.00 F A:42L701 0.0 67.2 1.0 C13 A:42L701 1.3 61.7 1.0 C14 A:42L701 2.4 63.6 1.0 C12 A:42L701 2.4 68.3 1.0 CA A:GLY425 3.3 68.2 1.0 CG1 A:VAL120 3.4 72.8 1.0 C15 A:42L701 3.6 65.3 1.0 C11 A:42L701 3.6 74.1 1.0 CB A:VAL120 3.8 66.8 1.0 O A:ALA117 4.0 83.2 1.0 C A:GLY425 4.0 66.9 1.0 C10 A:42L701 4.1 70.2 1.0 N A:GLY425 4.3 65.1 1.0 O A:GLY425 4.4 72.1 1.0 O A:SER421 4.6 69.9 1.0 N A:GLY121 4.6 72.0 1.0 CA A:ALA117 4.7 71.1 1.0 CG2 A:VAL120 4.7 67.0 1.0 N A:MET426 4.7 67.8 1.0 C A:ALA117 4.8 83.0 1.0 CB A:ALA117 4.8 61.3 1.0 C A:VAL120 4.8 68.8 1.0 CA A:VAL120 4.9 68.3 1.0 O A:SER422 4.9 74.5 1.0 CA A:SER422 4.9 71.1 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