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BioLiP

Structure of PDB 8xo9 Chain A Binding Site BS01

Receptor Information
>8xo9 Chain A (length=392) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSRKLILFIVFLALLLDNMLLTVVVPIIPSYLYSIKHEDKDLLNENVQVG
LLFASKATVQLITNPFIGLLTNRIGYPIPIFAGFCIMFVSTIMFAFSSSY
AFLLIARSLQGIGSSCSSVAGMGMLASVYTDAEEAGNVMGIALGGLAMGV
LVGPPFGSVLYEFVGKTAPFLVLAALVLLDGAIQLFVLQPSRVQPESQKG
TPLTTLLKDPYILIAAGSICFANMGIAMLEPALPIWMMETMCSRKWQLGV
AFLPASISYLIGTNIFGILAHKMGRWLCALLGMIIVGVSILCIPFAKNIY
GLIAPNFGVGFAIGMVDSSMMPIMGYLVDLRHVSVYGSVYAIADVAFCMG
YAIGPSAGGAIAKAIGFPWLMTIIGIIDILFAPLCFFLRSPP
Ligand information
Ligand IDE5E
InChIInChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1
InChIKeySFLSHLFXELFNJZ-QMMMGPOBSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1C(C[NH3+])O)O)O
CACTVS 3.385[NH3+]C[CH](O)c1ccc(O)c(O)c1
OpenEye OEToolkits 2.0.6c1cc(c(cc1[C@H](C[NH3+])O)O)O
CACTVS 3.385[NH3+]C[C@H](O)c1ccc(O)c(O)c1
FormulaC8 H12 N O3
NameNoradrenaline
ChEMBL
DrugBank
ZINC
PDB chain8xo9 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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PDB8xo9 VMAT2 complex with noradrenaline in cytosol-facing state
Resolution3.2 Å
Binding residue
(original residue number in PDB)		V232 I308 Y341 Y433
Binding residue
(residue number reindexed from 1)		V150 I226 Y259 Y351
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0022857 transmembrane transporter activity
Biological Process
GO:0055085 transmembrane transport

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Molecular Function
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Biological Process
External links
PDB RCSB:8xo9, PDBe:8xo9, PDBj:8xo9
PDBsum8xo9
PubMed
UniProtQ05940|VMAT2_HUMAN Synaptic vesicular amine transporter (Gene Name=SLC18A2)

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