Structure of PDB 8tgh Chain A Binding Site BS01

Receptor Information
>8tgh Chain A (length=384) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRQLVLVVVFVALLLDNMLFTVVVPIVPTFLYDITRVGVLFASKAVMQLL
VNPFVGPLTNRIGYHIPMFAGFVIMFLSTVMFAFSGTYTLLFVARTLQGI
GSSFSSVAGLGMLASVYTDDHERGRAMGTALGGLALGLLVGAPFGSVMYE
FVGKSAPFLILAFLALLDGALQLCILQPSKVSPESAKGTPLFMLLKDPYI
LVAAGSICFANMGVAILEPTLPIWMMQTMCSPKWQLGLAFLPASVSYLIG
TNLFGVLANKMGRWLCSLIGMLVVGTSLLCVPLAHNIFGLIGPNAGLGLA
IGMVDSSMMPIMGHLVDLRHTSVYGSVYAIADVAFCMGFAIGPSTGGAIV
KAIGFPWLMVITGVINIVYAPLCYYLRSPPAKEE
Ligand information
Ligand ID1WE
InChIInChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
InChIKeyKWTSXDURSIMDCE-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(Cc1ccccc1)N
CACTVS 3.385C[C@H](N)Cc1ccccc1
ACDLabs 12.01NC(Cc1ccccc1)C
OpenEye OEToolkits 1.7.6C[C@@H](Cc1ccccc1)N
CACTVS 3.385C[CH](N)Cc1ccccc1
FormulaC9 H13 N
Name(2S)-1-phenylpropan-2-amine;
Dextroamphetamine;
D-amphetamine;
Dexamphetamine;
Dexedrine;
Dextrostat
ChEMBLCHEMBL612
DrugBankDB01576
ZINCZINC000006021033
PDB chain8tgh Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tgh Structural insights into vesicular monoamine storage and pharmacological interactions
Resolution3.5 Å
Binding residue
(original residue number in PDB)		N313 Y349
Binding residue
(residue number reindexed from 1)		N211 Y247
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005335 serotonin:sodium:chloride symporter activity
GO:0008504 monoamine transmembrane transporter activity
GO:0015311 monoamine:proton antiporter activity
GO:0022857 transmembrane transporter activity
GO:0042910 xenobiotic transmembrane transporter activity
Biological Process
GO:0006836 neurotransmitter transport
GO:0006837 serotonin transport
GO:0015842 aminergic neurotransmitter loading into synaptic vesicle
GO:0015844 monoamine transport
GO:0042908 xenobiotic transport
GO:0051610 serotonin uptake
GO:0051649 establishment of localization in cell
GO:0055085 transmembrane transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0030672 synaptic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0043195 terminal bouton
GO:0045202 synapse
GO:0070083 clathrin-sculpted monoamine transport vesicle membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8tgh, PDBe:8tgh, PDBj:8tgh
PDBsum8tgh
PubMed38499039
UniProtP54219|VMAT1_HUMAN Chromaffin granule amine transporter (Gene Name=SLC18A1)

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