Structure of PDB 9eup Chain A Binding Site BS05

Receptor Information

>9eup Chain A (length=532) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DERETWSGKVDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYGIMLA
VGGIPLFYMELALGQHNRKGAITCWGRLVPLFKGIGYAVVLIAFYVDFYY
NVIIAWSLRFFFASFTNSLPWTSCNNIWNTPNCRPFESQGFQSAASEYFN
RYILELNRSEGIHDLGAIKWDMALCLLIVYLICYFSLWKGISTSGKVVWF
TALFPYAALLILLIRGLTLPGSFLGIQYYLTPNFSAIYKAEVWADAATQV
FFSLGPGFGVLLAYASYNKYHNNVYKDALLTSFINSATSFIAGFVIFSVL
GYMAHTLGVRIEDVATEGPGLVFVVYPAAIATMPASTFWALIFFMMLATL
GLDSSFGGSEAIITALSDEFPKIKRNRELFVAGLFSLYFVVGLASCTQGG
FYFFHLLDRYAAGYSILVAVFFEAIAVSWIYGTNRFSEDIRDMIGFPPGR
YWQVCWRFVAPIFLLFITVYLLIGYEPLTYADYVYPSWANALGWCIAGSS
VVMIPAVAIFKLLSTPGSLRQRFTILTTPWRD

Ligand information

Ligand ID

InChI

InChI=1S/ClH/h1H/p-1

InChIKey

VEXZGXHMUGYJMC-UHFFFAOYSA-M

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Cl-]

Formula

Name

CHLORIDE ION

PDB chain

9eup Chain A Residue 706 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	9eup Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site.
Resolution	3.0 Å
Binding residue (original residue number in PDB)	Y69 S320 S356
Binding residue (residue number reindexed from 1)	Y45 S253 S289
Annotation score	3

External links

PDB	RCSB:9eup, PDBe:9eup, PDBj:9eup
PDBsum	9eup
PubMed	39010681
UniProt	Q7K4Y6\|DAT_DROME Sodium-dependent dopamine transporter (Gene Name=DAT)

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