Structure of PDB 6m47 Chain A Binding Site BS03

Receptor Information
>6m47 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
VGGIPLFYMELALGQHNRKGAITCWGRLVPLFKGIGYAVVLIAFYVGFYY
NVIIAWSLRFFFASFTNSLPWTSCNNIWNTPNCRPFEGHVEGFQSAASEY
FNRYILELNRSEGIHDLGAIKWDMALCLLIVYLICYFSLWKGISTSGKVV
WFTALFPYAVLLILLIRGLTLPGSFLGIQYYLTPNFSAIYKAEVWVDAAT
QVFFSLGPGFGVLLAYASYNKYHNNVYKDALLTSFINSATSFIAGFVIFS
VLGYMAHTLGVRIEDVATEGPGLVFVVYPAAIATMPASTFWALIFFMMLA
TLGLDSSFGGMEAIITALSDEFPKIKRNRELFVAGLFSLYFVVGLASCTQ
GGFYFLHLLDRYAAGYSILVAVFFEAIAVSWIYGTNRFSEDIRDMIGFPP
GRYWQVCWRFVAPIFLLFITVYGLIGYEPLTYADYVYPSWANALGWCIAG
SSVVMIPAVAIFKLLSTPGSLRQRFTILTTPWRD
Ligand information
Ligand IDF1U
InChIInChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1
InChIKeyTVYLLZQTGLZFBW-GOEBONIOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cccc(c1)[C]2(O)CCCC[CH]2CN(C)C
OpenEye OEToolkits 2.0.7CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O
OpenEye OEToolkits 2.0.7CN(C)CC1CCCCC1(c2cccc(c2)OC)O
CACTVS 3.385COc1cccc(c1)[C@]2(O)CCCC[C@H]2CN(C)C
FormulaC16 H25 N O2
Name(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;
(s,s)-tramadol
ChEMBLCHEMBL4059722
DrugBank
ZINCZINC000000002200
PDB chain6m47 Chain A Residue 608 [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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PDB6m47 Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Resolution3.252 Å
Binding residue
(original residue number in PDB)		F43 D46 A117 F319 F325
Binding residue
(residue number reindexed from 1)		F19 D22 A93 F254 F260
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6m47, PDBe:6m47, PDBj:6m47
PDBsum6m47
PubMed33850134
UniProtQ7K4Y6|DAT_DROME Sodium-dependent dopamine transporter (Gene Name=DAT)

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