Structure of PDB 8tgk Chain A Binding Site BS01

Receptor Information
>8tgk 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]
SRQLVLVVVFVALLLDNMLFTVVVPIVPTFLYDEITRVGVLFASKAVMQL
LVNPFVGPLTNRIGYHIPMFAGFVIMFLSTVMFAFSGTYTLLFVARTLQG
IGSSFSSVAGLGMLASVYTDDHERGRAMGTALGGLALGLLVGAPFGSVMY
EFVGKSAPFLILAFLALLDGALQLCILQPSKVSPESAKGTPLFMLLKDPY
ILVAAGSICFANMGVAILEPTLPIWMMQTMCSPKWQLGLAFLPASVSYLI
GTNLFGVLANKMGRWLCSLIGMLVVGTSLLCVPLAHNIFGLIGPNAGLGL
AIGMVDSSMMPIMGHLVDLRHTSVYGSVYAIADVAFCMGFAIGPSTGGAI
VKAIGFPWLMVITGVINIVYAPLCYYLRSPPAKE
Ligand information
Ligand IDHSM
InChIInChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKeyNTYJJOPFIAHURM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(nc[nH]1)CCN
CACTVS 3.341NCCc1c[nH]cn1
ACDLabs 10.04n1c(cnc1)CCN
FormulaC5 H9 N3
NameHISTAMINE
ChEMBLCHEMBL90
DrugBankDB05381
ZINCZINC000000388081
PDB chain8tgk 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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PDB8tgk Structural insights into vesicular monoamine storage and pharmacological interactions
Resolution3.7 Å
Binding residue
(original residue number in PDB)		L240 N313 Y349
Binding residue
(residue number reindexed from 1)		L139 N212 Y248
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:8tgk, PDBe:8tgk, PDBj:8tgk
PDBsum8tgk
PubMed38499039
UniProtP54219|VMAT1_HUMAN Chromaffin granule amine transporter (Gene Name=SLC18A1)

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