Structure of PDB 8xoa Chain A Binding Site BS01

Receptor Information
>8xoa Chain A (length=376) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRKLILFIVFLALLLDNMLLTVVVPIIPSYLYVGLLFASKATVQLITNPF
IGLLTNRIGYPIPIFAGFCIMFVSTIMFAFSSSYAFLLIARSLQGIGSSC
SSVAGMGMLASVYTDDEERGNVMGIALGGLAMGVLVGPPFGSVLYEFVGK
TAPFLVLAALVLLDGAIQLFVLQPSRVQPESQKGTPLTTLLKDPYILIAA
GSICFANMGIAMLEPALPIWMMETMCSRKWQLGVAFLPASISYLIGTNIF
GILAHKMGRWLCALLGMIIVGVSILCIPFAKNIYGLIAPNFGVGFAIGMV
DSSMMPIMGYLVDLRHVSVYGSVYAIADVAFCMGYAIGPSAGGAIAKAIG
FPWLMTIIGIIDILFAPLCFFLRSPP
Ligand information
Ligand IDWRF
InChIInChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKeyFMGYKKMPNATWHP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C[n+]1ccc(cc1)c2ccccc2
ACDLabs 12.01C[n+]1ccc(cc1)c1ccccc1
FormulaC12 H12 N
Name1-methyl-4-phenylpyridin-1-ium
ChEMBLCHEMBL311617
DrugBank
ZINCZINC000000967769
PDB chain8xoa 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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PDB8xoa VMAT2 complex with MPP+
Resolution3.03 Å
Binding residue
(original residue number in PDB)		F334 Y341 F429 Y433
Binding residue
(residue number reindexed from 1)		F236 Y243 F331 Y335
Annotation score1
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:8xoa, PDBe:8xoa, PDBj:8xoa
PDBsum8xoa
PubMed
UniProtQ05940|VMAT2_HUMAN Synaptic vesicular amine transporter (Gene Name=SLC18A2)

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