Structure of PDB 2wzy Chain D Binding Site BS01

Receptor Information
>2wzy Chain D (length=211) Species: 6500 (Aplysia californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSST
NEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTR
PVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSW
VYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYID
VNLVVKFRERR
Ligand information
Ligand IDSQX
InChIInChI=1S/C42H63NO7/c1-25-9-8-10-37-40(23-28(4)29(5)24-43-37)15-13-33(36-21-27(3)38(45)47-36)30(6)34(40)20-26(2)35(44)22-32-12-16-41(48-32)17-18-42(50-41)39(7,46)14-11-31(19-25)49-42/h20,27-29,31-32,34-36,44,46H,1,8-19,21-24H2,2-7H3/b26-20+/t27-,28-,29-,31-,32-,34-,35-,36-,39+,40+,41+,42+/m0/s1
InChIKeyZYHQDUISTPEIAX-CHFLCUNXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C7OC(C4=C(C)C3C=C(C)C(O)CC6OC5(OC1(OC(CCC1(O)C)CC(=C)\CCCC2=NCC(C)C(C)CC23CC4)CC5)CC6)CC7C
OpenEye OEToolkits 1.6.1CC1CC(OC1=O)C2=C(C3C=C(C(CC4CCC5(O4)CCC6(O5)C(CCC(O6)CC(=C)CCCC7=NCC(C(CC37CC2)C)C)(C)O)O)C)C
OpenEye OEToolkits 1.6.1C[C@H]1C[C@H](OC1=O)C2=C([C@@H]3\C=C(\[C@H](C[C@@H]4CC[C@]5(O4)CC[C@@]6(O5)[C@](CC[C@H](O6)CC(=C)CCCC7=NC[C@@H]([C@H](C[C@]37CC2)C)C)(C)O)O)/C)C
CACTVS 3.352C[CH]1CN=C2CCCC(=C)C[CH]3CC[C](C)(O)[C]4(CC[C]5(CC[CH](C[CH](O)C(=C[CH]6C(=C(CC[C]26C[CH]1C)[CH]7C[CH](C)C(=O)O7)C)C)O5)O4)O3
CACTVS 3.352C[C@H]1CN=C2CCCC(=C)C[C@@H]3CC[C@@](C)(O)[C@]4(CC[C@@]5(CC[C@@H](C[C@H](O)C(=C/[C@H]6C(=C(CC[C@]26C[C@@H]1C)[C@@H]7C[C@H](C)C(=O)O7)C)/C)O5)O4)O3
FormulaC42 H63 N O7
Name13-DESMETHYL SPIROLIDE C
ChEMBL
DrugBank
ZINCZINC000263621369
PDB chain2wzy Chain D Residue 301 [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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PDB2wzy Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism.
Resolution2.51 Å
Binding residue
(original residue number in PDB)		Y93 K143 W147 V148 Y188 Y195
Binding residue
(residue number reindexed from 1)		Y96 K146 W150 V151 Y191 Y198
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
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wzy, PDBe:2wzy, PDBj:2wzy
PDBsum2wzy
PubMed20224036
UniProtQ8WSF8

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