Iodine in PDB 4xpf: X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to Rti-55

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to Rti-55, PDB code: 4xpf 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)	48.32 / 3.27
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.415, 140.312, 166.962, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 29.6

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to Rti-55 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 with Subsiteb Mutations (D121G/S426M) Bound to Rti-55 (pdb code 4xpf). 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 with Subsiteb Mutations (D121G/S426M) Bound to Rti-55, PDB code: 4xpf:

Iodine binding site 1 out of 1 in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to Rti-55


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 with Subsiteb Mutations (D121G/S426M) Bound to Rti-55 within 5.0Å range: probe atom residue distance (Å) B Occ A:I603 b:0.8 occ:1.00 I A:42F603 0.0 0.8 1.0 C11 A:42F603 2.1 0.7 1.0 C12 A:42F603 3.0 0.6 1.0 C10 A:42F603 3.0 0.4 1.0 ND2 A:ASN125 3.1 0.7 1.0 OG A:SER422 3.5 0.1 1.0 CA A:GLY121 3.5 0.2 1.0 N A:GLY121 3.7 0.6 1.0 C A:VAL120 4.2 0.1 1.0 CG A:ASN125 4.3 0.5 1.0 O A:SER422 4.3 0.4 1.0 C13 A:42F603 4.3 0.8 1.0 C9 A:42F603 4.3 0.1 1.0 O A:ALA117 4.4 0.0 1.0 CG1 A:VAL120 4.5 0.7 1.0 CA A:SER422 4.5 0.5 1.0 O A:VAL120 4.5 0.9 1.0 CB A:VAL120 4.5 0.7 1.0 CB A:SER422 4.5 0.0 1.0 CB A:TYR124 4.6 0.1 1.0 CG A:MET426 4.9 0.4 1.0 CA A:GLY425 4.9 0.6 1.0 C8 A:42F603 4.9 0.1 1.0 C A:GLY121 4.9 0.6 1.0 C A:SER422 4.9 0.1 1.0 OD1 A:ASN125 4.9 0.1 1.0 CE A:MET426 5.0 0.9 1.0 CG A:TYR124 5.0 1.0 1.0

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