X-ray structure of a drosophila dopamine transporter with net-like mutations (D121G/S426M/F471L) in milnacipran bound form

Structure

x-ray diffraction · 3 distinct chains · 43% helix, 24% strand (DSSP).

Ligands and binding sites

• F0F · (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide · ligand · chains A
• D10 · Decane · ligand · chains A
• Y01 · Cholesterol hemisuccinate · ligand · chains A
• CLR · Cholesterol · ligand · chains A
• GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, H, L
• NA · Sodium ion · metal · 2 copies · chains A
• CL · Chloride ion · ion · chains A
• GOL · Glycerol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• L–H · 2036 Ų buried · 20 hydrogen bonds · protein-protein
• A–H · 594 Ų buried · 21 hydrogen bonds · protein-protein
• A–L · 82 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

• 6M3Z · X-ray structure of a Drosophila dopamine transporter with NET-like mutations… · the same entry in another collection · chain A against A, TM-score 1.00
• Q7K4Y6 · AlphaFold monomer V2.0 prediction for sodium-dependent dopamine transporter (Q7K4Y6) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q7K4Y6
• Elsewhere: RCSB PDB 6M3Z · PDBe 6M3Z · UniProt Q7K4Y6