Iodine 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:

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

The binding sites of Iodine 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 Iodine atom.
In total only one binding site of Iodine was determined in the X-Ray Structure of Drosophila Dopamine Transporter Bound to Cocaine Analogue-RTI55, PDB code: 4xp5:

Iodine 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 Iodine with other atoms in the I 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:I602 b:0.2 occ:1.00 I A:42F602 0.0 0.2 1.0 C11 A:42F602 2.1 68.5 1.0 C12 A:42F602 3.0 69.6 1.0 C10 A:42F602 3.1 67.2 1.0 OD1 A:ASP121 3.3 81.2 1.0 CG A:ASP121 3.5 80.9 1.0 CA A:ASP121 3.7 71.2 1.0 N A:ASP121 3.8 67.5 1.0 OD2 A:ASP121 3.9 85.8 1.0 O A:ALA117 3.9 81.3 1.0 CB A:ASP121 4.0 76.8 1.0 CA A:GLY425 4.0 60.1 1.0 CG1 A:VAL120 4.1 67.5 1.0 C A:VAL120 4.2 61.8 1.0 CB A:VAL120 4.2 66.5 1.0 C13 A:42F602 4.3 70.1 1.0 C9 A:42F602 4.4 61.3 1.0 OG A:SER422 4.4 69.6 1.0 C A:GLY425 4.4 64.9 1.0 CA A:SER422 4.4 66.5 1.0 N A:SER426 4.6 64.5 1.0 O A:VAL120 4.6 64.2 1.0 O A:SER422 4.6 72.5 1.0 CB A:TYR124 4.7 61.2 1.0 CB A:SER422 4.8 68.2 1.0 C A:ALA117 4.9 73.2 1.0 CA A:VAL120 4.9 67.4 1.0 C8 A:42F602 4.9 64.4 1.0 N A:GLY425 4.9 50.5 1.0 CG A:TYR124 5.0 56.0 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