Structure of PDB 8f2s Chain B Binding Site BS01

Receptor Information
>8f2s Chain B (length=425) Species: 7787 (Tetronarce californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEEERLINDLLIVNKYNKHVRPVKHNNEVVNIALSLTLSNLISLKETDET
LTSNVWMDHAWYDHRLTWNASEYSDISILRLPPELVWIPDIVLQNNNDGQ
YHVAYFCNVLVRPNGYVTWLPPAIFRSSCPINVLYFPFDWQNCSLKFTAL
NYDANEITMDLMTDTIDGKDYPIEWIIIDPEAFTENGEWEIIHKPAKKNI
YPDKFPNGTNYQDVTFYLIIRRKPLFYVINFITPCVLISFLASLAFYLPA
ESGEKMSTAISVLLAQAVFLLLTSQRLPETALAVPLIGKYLMFIMSLVTG
VIVNCGIVLNFHFRTPSTHVLSTRVKQIFLEKLPRILHMSHDEIKSGIDS
TNYIVKQIKEKNAYDEEVGNWNLVGQTIDRLSMFIITPVMVLGTIFIFVM
GNFNHPPAKPFEGDPFDYSSDHPRC
Ligand information
Ligand IDRBR
InChIInChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
InChIKeyYXRDKMPIGHSVRX-OOJCLDBCSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C=CC[N+]1(CCCC1)C1CC2C3CCC4CC(O)C(CC4(C)C3CCC2(C)C1OC(C)=O)N1CCOCC1
CACTVS 3.385CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N5CCOCC5)[N+]6(CCCC6)CC=C
CACTVS 3.385CC(=O)O[CH]1[CH](C[CH]2[CH]3CC[CH]4C[CH](O)[CH](C[C]4(C)[CH]3CC[C]12C)N5CCOCC5)[N+]6(CCCC6)CC=C
OpenEye OEToolkits 2.0.7CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C
OpenEye OEToolkits 2.0.7CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C
FormulaC32 H53 N2 O4
Namerocuronium
ChEMBLCHEMBL1201244
DrugBankDB00728
ZINCZINC000053229445
PDB chain8f2s Chain B Residue 603 [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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PDB8f2s Structural interplay of anesthetics and paralytics on muscle nicotinic receptors.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		L265 V269
Binding residue
(residue number reindexed from 1)		L264 V268
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
GO:0022848 acetylcholine-gated monoatomic cation-selective channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0007165 signal transduction
GO:0007268 chemical synaptic transmission
GO:0034220 monoatomic ion transmembrane transport
GO:0042391 regulation of membrane potential
GO:0050877 nervous system process
GO:0060078 regulation of postsynaptic membrane potential
GO:0060079 excitatory postsynaptic potential
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043005 neuron projection
GO:0045202 synapse
GO:0045211 postsynaptic membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8f2s, PDBe:8f2s, PDBj:8f2s
PDBsum8f2s
PubMed37264005
UniProtP02718|ACHD_TETCF Acetylcholine receptor subunit delta (Gene Name=chrnd)

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