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Structure of PDB 5g08 Chain A Binding Site BS04

Receptor Information
>5g08 Chain A (length=180) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNSKLKQDTIDRLTTDTYFTEKEIRQWHKGFLKDCPNGLLTEQGFIKIYK
QFFPDGDPSKFASLVFRVFDENNDGAIEFEEFIRALSITSRGNLDEKLHW
AFRLYDVDNDGYITREEMYNIVDAIYQMVGQQPQTEDENTPQKRVDKIFD
QMDKNHDDRLTLEEFREGSKADPRMVQALS
Ligand information
Ligand IDZ80
InChIInChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyZPEIMTDSQAKGNT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
OpenEye OEToolkits 1.7.0CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
FormulaC17 H19 Cl N2 S
Name3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine;
Chlorpromazine
ChEMBLCHEMBL71
DrugBankDB00477
ZINCZINC000000044027
PDB chain5g08 Chain A Residue 1187 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5g08 Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome.
Resolution1.52 Å
Binding residue
(original residue number in PDB)
F72 F85 T92
Binding residue
(residue number reindexed from 1)
F69 F82 T89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0008048 calcium sensitive guanylate cyclase activator activity
GO:0046872 metal ion binding
Biological Process
GO:0007268 chemical synaptic transmission
GO:0007269 neurotransmitter secretion
GO:0007528 neuromuscular junction development
GO:0016192 vesicle-mediated transport
GO:0046928 regulation of neurotransmitter secretion
Cellular Component
GO:0005737 cytoplasm
GO:0008021 synaptic vesicle

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:5g08, PDBe:5g08, PDBj:5g08
PDBsum5g08
PubMed28119500
UniProtQ9VWX8|FRQ2_DROME Frequenin-2 (Gene Name=Frq2)

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