Structure of PDB 4xp6 Chain A Binding Site BS02

Receptor Information
>4xp6 Chain A (length=534) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DERETWSGKVDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYGIMLA
VGGIPLFYMELALGQHNRKGAITCWGRLVPLFKGIGYAVVLIAFYVDFYY
NVIIAWSLRFFFASFTNSLPWTSCNNIWNTPNCRPFEGHVEGFQSAASEY
FNRYILELNRSEGIHDLGAIKWDMALCLLIVYLICYFSLWKGISTSGKVV
WFTALFPYAVLLILLIRGLTLPGSFLGIQYYLTPNFSAIYKAEVWVDAAT
QVFFSLGPGFGVLLAYASYNKYHNNVYKDALLTSFINSATSFIAGFVIFS
VLGYMAHTLGVRIEDVATEGPGLVFVVYPAAIATMPASTFWALIFFMMLA
TLGLDSSFGGSEAIITALSDEFPKIKRNRELFVAGLFSLYFVVGLASCTQ
GGFYFFHLLDRYAAGYSILVAVFFEAIAVSWIYGTNRFSEDIRDMIGFPP
GRYWQVCWRFVAPIFLLFITVYGLIGYEPLTYADYVYPSWANALGWCIAG
SSVVMIPAVAIFKLLSTPGSLRQRFTILTTPWRD
Ligand information
Ligand IDB40
InChIInChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
InChIKeyMYWUZJCMWCOHBA-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](Cc1ccccc1)NC
ACDLabs 10.04N(C(Cc1ccccc1)C)C
CACTVS 3.341CN[CH](C)Cc1ccccc1
CACTVS 3.341CN[C@@H](C)Cc1ccccc1
OpenEye OEToolkits 1.5.0CC(Cc1ccccc1)NC
FormulaC10 H15 N
Name(2S)-N-methyl-1-phenylpropan-2-amine;
Methamphetamine
ChEMBLCHEMBL1201201
DrugBankDB01577
ZINCZINC000006021043
PDB chain4xp6 Chain A Residue 601 [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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PDB4xp6 Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		F43 D46 V120 F325 S421
Binding residue
(residue number reindexed from 1)		F19 D22 V96 F260 S356
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4xp6, PDBe:4xp6, PDBj:4xp6
PDBsum4xp6
PubMed25970245
UniProtQ7K4Y6|DAT_DROME Sodium-dependent dopamine transporter (Gene Name=DAT)

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