Structure of PDB 6m2r Chain A Binding Site BS04

Receptor Information
>6m2r Chain A (length=536) 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
GGFYFLHLLDRYAAGYSILVAVFFEAIAVSWIYGTNRFSEDIRDMIGFPP
GRYWQVCWRFVAPIFLLFITVYGLIGYEPLTYADYVYPSWANALGWCIAG
SSVVMIPAVAIFKLLSTPGSLRQRFTILTTPWRDQQ
Ligand information
Ligand IDLNR
InChIInChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
InChIKeySFLSHLFXELFNJZ-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1[C@H](CN)O)O)O
CACTVS 3.370NC[CH](O)c1ccc(O)c(O)c1
OpenEye OEToolkits 1.7.6c1cc(c(cc1C(CN)O)O)O
ACDLabs 12.01Oc1ccc(cc1O)C(O)CN
CACTVS 3.370NC[C@H](O)c1ccc(O)c(O)c1
FormulaC8 H11 N O3
NameL-NOREPINEPHRINE;
NORADRENALINE
ChEMBLCHEMBL1437
DrugBankDB00368
ZINCZINC000000057624
PDB chain6m2r Chain A Residue 704 [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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PDB6m2r Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Resolution2.802 Å
Binding residue
(original residue number in PDB)		V120 F325
Binding residue
(residue number reindexed from 1)		V96 F260
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6m2r, PDBe:6m2r, PDBj:6m2r
PDBsum6m2r
PubMed33850134
UniProtQ7K4Y6|DAT_DROME Sodium-dependent dopamine transporter (Gene Name=DAT)

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