Structure of PDB 7pxh Chain A Binding Site BS05

Receptor Information
>7pxh Chain A (length=885) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKVRKYWCFLLSSIFTFLAGLLVVLLWRAFAFVCTFMTEAKDWAGELISG
QTTTGRILVVLVFILSIASLIIYFVDASSEEVERCQKWSNNITQQIDLAF
NIFFMVYFFIRFIAASDKLWFMLEMYSFVDYFTIPPSFVSIYLDRTWIGL
RFLRALRLMTVPDILQYLNVLKTSSSIRLAQLVSIFISVWLTAAGIIHLL
ENSGDPLDFDNAHRLSYWTCVYFLIVTMSTVGYGDVYCETVLGRTFLVFF
LLVGLAIFASCIPEIIDLIGTRAKYGGTLKNEKGRRHIVVCGHITYESVS
HFLKDFLHEDREDVDVEVVFLHRKPPDLELEGLFKRHFTTVEFFQGTIMN
PIDLQRVKVHEADACLVLANKYCQDPDAEDAANIMRVISIKNYSDDIRVI
IQLMQYHNKAYLLNIPSWDWKQGDDVICLAELKLGFIAQSCLAPGFSTMM
ANLFAMRSFKTSPDMQSWTNDYLRGTGMEMYTETLSPTFIGIPFAQATEL
CFSKLKLLLLAIEIKSKISINPRGAKIQANTQGFFIAQSADEVKRAWFYC
KAMKYDSTGMFHWSPAKSLEDCILDRNQAAMTVLNGHVVVCLFADPDSPL
IGLRNLVMPLRASNFHYHELKHVVIVGSVDYIRREWKMLQNLPKISVLNG
SPLSRADLRAVNVNLCDMCCILSAKVPSNDDPTLADKEAILASLNIKAMT
FDVYGANVPMITELVNDGNVQFLDQDDDDDPDTELYLTQPFACGTAFAVS
VLDSLMSTTYFNQNALTLIRSLITGGATPELELILAEGAGLRGGYSTVES
LSNRDRCRVGQISLYDGPLAQFGECGKYGDLFVAALKSYGMLCIGLYRFR
DTSASSKRYVITNPPDDFSLLPTDQVFVLMQFDPG
Ligand information
Ligand ID8I2
InChIInChI=1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)58(72)78-42(10)54(68)62(12)49(33-39(5)6)59(73)79-51(55(69)63(47)13)35-43-15-19-45(20-16-43)65-23-27-75-28-24-65/h15-22,37-42,47-52H,23-36H2,1-14H3/t41-,42-,47+,48+,49+,50+,51-,52-/m1/s1
InChIKeyZMQMTKVVAMWKNY-YSXLEBCMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)Cc2ccc(cc2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)Cc4ccc(cc4)N5CCOCC5)CC(C)C)C
OpenEye OEToolkits 2.0.7CC1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC(C)C)C)Cc2ccc(cc2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)Cc4ccc(cc4)N5CCOCC5)CC(C)C)C
CACTVS 3.385CC(C)C[CH]1N(C)C(=O)[CH](C)OC(=O)[CH](CC(C)C)N(C)C(=O)[CH](Cc2ccc(cc2)N3CCOCC3)OC(=O)[CH](CC(C)C)N(C)C(=O)[CH](C)OC(=O)[CH](CC(C)C)N(C)C(=O)[CH](Cc4ccc(cc4)N5CCOCC5)OC1=O
CACTVS 3.385CC(C)C[C@@H]1N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc2ccc(cc2)N3CCOCC3)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc4ccc(cc4)N5CCOCC5)OC1=O
FormulaC60 H90 N6 O14
Name(3~{S},6~{R},9~{S},12~{R},15~{S},18~{R},21~{S},24~{R})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
ChEMBLCHEMBL2104404
DrugBankDB11403
ZINC
PDB chain7pxh Chain B Residue 1209 [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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PDB7pxh Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Resolution2.59 Å
Binding residue
(original residue number in PDB)		F257 M299 L326 A330 I333
Binding residue
(residue number reindexed from 1)		F186 M228 L255 A259 I262
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005267 potassium channel activity
GO:0005515 protein binding
GO:0015269 calcium-activated potassium channel activity
GO:0060072 large conductance calcium-activated potassium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0007623 circadian rhythm
GO:0008582 regulation of synaptic assembly at neuromuscular junction
GO:0009410 response to xenobiotic stimulus
GO:0045433 male courtship behavior, veined wing generated song production
GO:0048512 circadian behavior
GO:0055085 transmembrane transport
GO:0071805 potassium ion transmembrane transport
GO:1900074 negative regulation of neuromuscular synaptic transmission
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034702 monoatomic ion channel complex
GO:0043005 neuron projection
GO:0043025 neuronal cell body
GO:0045211 postsynaptic membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7pxh, PDBe:7pxh, PDBj:7pxh
PDBsum7pxh
PubMed34887422
UniProtQ03720|SLO_DROME Calcium-activated potassium channel slowpoke (Gene Name=slo)

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