Sodium in PDB 4xpa: X-Ray Structure of Drosophila Dopamine Transporter Bound to 3, 4DICHLOROPHENETHYLAMINE

The structure of X-Ray Structure of Drosophila Dopamine Transporter Bound to 3, 4DICHLOROPHENETHYLAMINE, PDB code: 4xpa 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)	48.17 / 2.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.339, 140.125, 165.018, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 25.5

The structure of X-Ray Structure of Drosophila Dopamine Transporter Bound to 3, 4DICHLOROPHENETHYLAMINE 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 Bound to 3, 4DICHLOROPHENETHYLAMINE (pdb code 4xpa). 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 Bound to 3, 4DICHLOROPHENETHYLAMINE, PDB code: 4xpa:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the X-Ray Structure of Drosophila Dopamine Transporter Bound to 3, 4DICHLOROPHENETHYLAMINE


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 Bound to 3, 4DICHLOROPHENETHYLAMINE within 5.0Å range: probe atom residue distance (Å) B Occ A:Na705 b:73.7 occ:1.00 ND2 A:ASN49 2.1 78.1 1.0 O A:ALA44 2.4 70.1 1.0 O A:HOH805 2.4 79.3 1.0 OG A:SER320 2.4 68.8 1.0 OD1 A:ASN352 2.5 71.7 1.0 OD1 A:ASN49 2.5 79.2 1.0 CG A:ASN49 2.6 71.5 1.0 O A:SER320 2.7 80.3 1.0 OD1 A:ASP46 2.7 82.4 1.0 C A:SER320 3.3 73.5 1.0 CA A:SER320 3.3 75.7 1.0 C A:ALA44 3.4 70.1 1.0 CB A:SER320 3.4 69.8 1.0 CG A:ASN352 3.6 71.0 1.0 O A:HOH804 3.7 83.5 1.0 CA A:VAL45 3.9 72.6 1.0 CG A:ASP46 3.9 73.6 1.0 N A:VAL45 4.0 73.9 1.0 ND2 A:ASN352 4.0 70.7 1.0 N A:ASP46 4.0 67.9 1.0 CB A:ASN49 4.1 63.4 1.0 CA A:ALA44 4.4 65.9 1.0 C A:VAL45 4.4 67.5 1.0 N A:LEU321 4.5 67.7 1.0 N A:42J703 4.6 75.3 1.0 N A:ASN49 4.6 69.3 1.0 CA A:ASN49 4.7 70.6 1.0 CL A:CL704 4.7 71.1 1.0 N A:SER320 4.7 79.9 1.0 OD2 A:ASP46 4.8 82.5 1.0 CB A:ASP46 4.8 68.0 1.0 CB A:ALA44 4.8 68.3 1.0 CB A:ASN352 4.9 72.7 1.0 OG A:SER356 4.9 69.0 1.0 CA A:ASP46 5.0 70.6 1.0

Sodium binding site 2 out of 2 in the X-Ray Structure of Drosophila Dopamine Transporter Bound to 3, 4DICHLOROPHENETHYLAMINE


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 Bound to 3, 4DICHLOROPHENETHYLAMINE within 5.0Å range: probe atom residue distance (Å) B Occ A:Na706 b:86.9 occ:1.00 N A:SER421 2.1 76.7 1.0 O A:GLY42 2.3 80.5 1.0 CG A:ASP420 2.4 75.0 1.0 OD1 A:ASP420 2.4 80.8 1.0 OG A:SER421 2.5 77.4 1.0 O A:HOH801 2.5 77.8 1.0 O A:LEU417 2.7 67.2 1.0 OD2 A:ASP420 2.7 80.3 1.0 C A:ASP420 2.8 74.7 1.0 CA A:SER421 2.9 73.6 1.0 CB A:ASP420 3.0 63.7 1.0 CB A:SER421 3.0 70.2 1.0 O A:VAL45 3.1 71.8 1.0 C A:GLY42 3.2 76.9 1.0 CA A:ASP420 3.2 75.7 1.0 N A:ASP420 3.4 78.9 1.0 C A:LEU417 3.7 63.4 1.0 O A:ASP420 3.8 77.3 1.0 N A:PHE43 3.9 74.1 1.0 O A:GLY418 4.0 68.5 1.0 CA A:GLY42 4.0 72.4 1.0 CA A:PHE43 4.1 66.1 1.0 C A:GLY418 4.1 69.9 1.0 C A:LEU419 4.2 70.6 1.0 C A:VAL45 4.3 67.5 1.0 C A:SER421 4.3 70.1 1.0 O A:PHE43 4.3 72.9 1.0 O A:THR416 4.4 68.3 1.0 C A:PHE43 4.4 73.9 1.0 N A:GLY418 4.5 64.3 1.0 CA A:LEU417 4.5 55.8 1.0 N A:LEU419 4.5 69.2 1.0 CA A:GLY418 4.6 66.9 1.0 N A:SER422 4.7 73.3 1.0 O A:LEU419 4.8 76.0 1.0 O A:HOH810 4.9 73.6 1.0 CA A:ASP46 4.9 70.6 1.0 CA A:LEU419 5.0 67.8 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