Chlorine 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:

Iodine	(I)	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 Rti-55 (pdb code 4xpf). 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 Rti-55, PDB code: 4xpf:

Chlorine 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 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 Rti-55 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl608 b:0.6 occ:1.00 OH A:TYR69 3.0 90.4 1.0 OG A:SER356 3.1 0.1 1.0 OG A:SER320 3.4 0.9 1.0 NE2 A:GLN316 3.5 94.0 1.0 CB A:SER356 3.7 94.2 1.0 ND2 A:ASN49 3.8 0.0 1.0 CB A:SER320 3.9 95.5 1.0 CZ A:TYR69 3.9 0.7 1.0 CG A:GLN316 4.0 96.9 1.0 CG A:PHE53 4.0 91.0 1.0 CE2 A:TYR69 4.1 0.1 1.0 CB A:PHE53 4.2 89.6 1.0 CD2 A:PHE53 4.2 90.6 1.0 CD A:GLN316 4.3 97.6 1.0 CD1 A:PHE53 4.4 97.4 1.0 ND2 A:ASN352 4.4 0.8 1.0 CE2 A:PHE53 4.7 96.2 1.0 CA A:ASN49 4.9 0.3 1.0 CA A:SER353 4.9 94.9 1.0 CE1 A:PHE53 4.9 96.5 1.0 CG A:ASN49 5.0 0.7 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