Structure of PDB 4xpt Chain A Binding Site BS02

Receptor Information
>4xpt Chain A (length=535) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DERETWSGKVDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYGIMLA
VGGIPLFYMELALGQHNRKGAITCWGRLVPLFKGIGYAVVLIAFYVGFYY
NVIIAWSLRFFFASFTNSLPWTSCNNIWNTPNCRPFEVGHVEGFQSAASE
YFNRYILELNRSEGIHDLGAIKWDMALCLLIVYLICYFSLWKGISTSGKV
VWFTALFPYAVLLILLIRGLTLPGSFLGIQYYLTPNFSAIYKAEVWVDAA
TQVFFSLGPGFGVLLAYASYNKYHNNVYKDALLTSFINSATSFIAGFVIF
SVLGYMAHTLGVRIEDVATEGPGLVFVVYPAAIATMPASTFWALIFFMML
ATLGLDSSFGGMEAIITALSDEFPKIKRNRELFVAGLFSLYFVVGLASCT
QGGFYFFHLLDRYAAGYSILVAVFFEAIAVSWIYGTNRFSEDIRDMIGFP
PGRYWQVCWRFVAPIFLLFITVYGLIGYEPLTYADYVYPSWANALGWCIA
GSSVVMIPAVAIFKLLSTPGSLRQRFTILTTPWRD
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain4xpt Chain F Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4xpt Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Resolution3.36 Å
Binding residue
(original residue number in PDB)		G480 Y481 G538
Binding residue
(residue number reindexed from 1)		G416 Y417 G474
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4xpt, PDBe:4xpt, PDBj:4xpt
PDBsum4xpt
PubMed25970245
UniProtQ7K4Y6|DAT_DROME Sodium-dependent dopamine transporter (Gene Name=DAT)

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