Sodium in PDB 4xpt: X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine, PDB code: 4xpt was solved by P.Aravind, K.Wang, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.60 / 3.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.614, 139.148, 166.679, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 27.3

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Sodium atom in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine (pdb code 4xpt). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine, PDB code: 4xpt:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na611 b:89.6 occ:1.00 OG A:SER320 2.5 91.9 1.0 OD1 A:ASN49 2.5 88.8 1.0 OD1 A:ASP46 2.6 0.2 1.0 O A:ALA44 2.6 90.5 1.0 O A:SER320 2.8 98.9 1.0 CA A:SER320 3.0 91.1 1.0 OD1 A:ASN352 3.1 88.9 1.0 CB A:SER320 3.2 89.3 1.0 C A:SER320 3.2 94.3 1.0 CG A:ASN49 3.4 92.2 1.0 ND2 A:ASN49 3.7 96.9 1.0 C A:ALA44 3.8 88.7 1.0 CG A:ASP46 3.9 95.2 1.0 CG A:ASN352 3.9 87.3 1.0 ND2 A:ASN352 4.1 91.9 1.0 N A:ASP46 4.1 95.0 1.0 N A:SER320 4.3 97.2 1.0 CA A:VAL45 4.3 87.9 1.0 O A:PHE319 4.5 0.7 1.0 N A:ASN49 4.5 99.7 1.0 N A:LEU321 4.5 94.7 1.0 CB A:ALA48 4.6 0.1 1.0 OD2 A:ASP46 4.6 97.3 1.0 N A:VAL45 4.6 86.5 1.0 CB A:ASN49 4.7 87.0 1.0 C A:VAL45 4.7 90.3 1.0 CB A:ASP46 4.9 86.3 1.0 C A:PHE319 4.9 0.4 1.0 CL A:CL610 4.9 0.4 1.0 CA A:ALA44 4.9 84.3 1.0 CA A:ASN49 4.9 92.2 1.0 CA A:ASP46 5.0 84.3 1.0

Sodium binding site 2 out of 2 in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na612 b:91.3 occ:1.00 OD1 A:ASP420 2.3 98.8 1.0 O A:GLY42 2.3 83.2 1.0 O A:LEU417 2.3 92.6 1.0 O A:VAL45 2.3 90.3 1.0 OG A:SER421 2.5 83.8 1.0 CG A:ASP420 2.8 88.7 1.0 OD2 A:ASP420 3.0 80.9 1.0 C A:LEU417 3.3 86.4 1.0 N A:SER421 3.4 84.7 1.0 C A:GLY42 3.5 87.2 1.0 C A:VAL45 3.5 90.3 1.0 CB A:SER421 3.6 84.1 1.0 CA A:LEU417 3.8 85.2 1.0 CB A:ASP420 3.9 89.0 1.0 CA A:SER421 3.9 87.5 1.0 C A:ASP420 4.0 88.3 1.0 O A:THR416 4.1 91.2 1.0 CA A:ASP46 4.1 84.3 1.0 CA A:GLY42 4.2 92.8 1.0 N A:ASP46 4.3 95.0 1.0 CA A:ASP420 4.3 84.6 1.0 N A:ASP420 4.3 93.6 1.0 N A:GLY418 4.4 80.2 1.0 N A:PHE43 4.5 83.3 1.0 CA A:VAL45 4.6 87.9 1.0 CB A:ASP46 4.6 86.3 1.0 CD2 A:LEU417 4.6 82.3 1.0 CA A:PHE43 4.7 82.4 1.0 N A:VAL45 4.7 86.5 1.0 CB A:LEU417 4.8 84.9 1.0 CA A:GLY418 4.8 83.0 1.0 O A:PHE43 4.8 90.4 1.0 C A:PHE43 4.8 86.7 1.0 C A:GLY418 4.8 83.3 1.0 N A:LEU417 4.8 84.1 1.0 O A:ASP420 4.9 91.4 1.0 C A:THR416 4.9 91.6 1.0 CB A:VAL45 4.9 88.4 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