Structure of PDB 8sun Chain B Binding Site BS03

Receptor Information
>8sun Chain B (length=743) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAY
ESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKFT
APFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGIN
RLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQP
LDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWS
KEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKLCIFDSFGTLIFAV
FMGVWVTLFLEFWKRRQAELEYEWDTVELQQEEQARPEYEAQLCASAVFF
WILLIIASVIGIIVYRLSVFIVFSTTLLTPQMATSITASIISFIIIMILN
TIYEKVAIMITNFELPRTQTDYENSLTMKMFLFQFVNYYSSCFYIAFFKG
KFVGYPGDPVYLLGKYRSEECDPGGCLLELTTQLTIIMGGKAIWNNIQEV
LLPWVMNLIGRYKRVSGSEKITPRWEQDYHLQPMGKLGLFYEYLEMIIQF
GFVTLFVASFPLAPLLALVNNILEIRVDAWKLTTQFRRMVPEKAQDIGAW
QPIMQGIAILAVVTNAMIIAFTSDMIPRLVYYWSFSIPPYGDHTYYTMDG
YINNTLSVFNITDFKNTDKENPYIGLGNYTLCRYRDFRNPPGHPQEYKHN
IYYWHVIAAKLAFIIVMEHIIYSVKFFISYAIPDVSKITKSKI
Ligand information
Ligand IDJRF
InChIInChI=1S/C13H6F3N3O/c14-13(15,16)8-5-11(20)19-10-4-2-1-3-9(10)18-12(19)7(8)6-17/h1-5,20H
InChIKeyNSMPADIWUYJQKF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cc(c(C#N)c2nc3ccccc3n12)C(F)(F)F
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nc3n2c(cc(c3C#N)C(F)(F)F)O
FormulaC13 H6 F3 N3 O
Name1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile;
1-Hydroxy-3-trifluoromethyl-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
ChEMBLCHEMBL1306462
DrugBank
ZINCZINC000001001156
PDB chain8sun Chain B Residue 906 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8sun Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Resolution3.12 Å
Binding residue
(original residue number in PDB)		F321 K370
Binding residue
(residue number reindexed from 1)		F237 K286
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005227 calcium-activated cation channel activity
GO:0005229 intracellularly calcium-gated chloride channel activity
GO:0005244 voltage-gated monoatomic ion channel activity
GO:0005254 chloride channel activity
GO:0017128 phospholipid scramblase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0046983 protein dimerization activity
Biological Process
GO:0002407 dendritic cell chemotaxis
GO:0006821 chloride transport
GO:0006869 lipid transport
GO:0007596 blood coagulation
GO:0017121 plasma membrane phospholipid scrambling
GO:0030501 positive regulation of bone mineralization
GO:0032060 bleb assembly
GO:0034220 monoatomic ion transmembrane transport
GO:0034767 positive regulation of monoatomic ion transmembrane transport
GO:0035590 purinergic nucleotide receptor signaling pathway
GO:0035630 bone mineralization involved in bone maturation
GO:0043065 positive regulation of apoptotic process
GO:0045332 phospholipid translocation
GO:0045794 negative regulation of cell volume
GO:0051649 establishment of localization in cell
GO:0060078 regulation of postsynaptic membrane potential
GO:0060100 positive regulation of phagocytosis, engulfment
GO:0061588 calcium activated phospholipid scrambling
GO:0061589 calcium activated phosphatidylserine scrambling
GO:0061590 calcium activated phosphatidylcholine scrambling
GO:0061591 calcium activated galactosylceramide scrambling
GO:0070588 calcium ion transmembrane transport
GO:0090026 positive regulation of monocyte chemotaxis
GO:1902476 chloride transmembrane transport
GO:1903766 positive regulation of potassium ion export across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0034707 chloride channel complex
GO:0097060 synaptic membrane
GO:0098981 cholinergic synapse

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8sun, PDBe:8sun, PDBj:8sun
PDBsum8sun
PubMed37573365
UniProtQ6P9J9|ANO6_MOUSE Anoctamin-6 (Gene Name=Ano6)

[Back to BioLiP]