Structure of PDB 2ph9 Chain D Binding Site BS01

Receptor Information
>2ph9 Chain D (length=213) Species: 6500 (Aplysia californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDDDKLHSQANLMRLKSDLFNRSPYPGPTKDDPLTVTLGFTLQDIVKADS
STNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSS
TRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFG
SWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPY
IDVNLVVKFRERR
Ligand information
Ligand IDGNT
InChIInChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
InChIKeyASUTZQLVASHGKV-JDFRZJQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341COc1ccc2CN(C)CC[C]34C=C[CH](O)C[CH]3Oc1c24
OpenEye OEToolkits 1.5.0C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O
OpenEye OEToolkits 1.5.0CN1CCC23C=CC(CC2Oc4c3c(ccc4OC)C1)O
CACTVS 3.341COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
ACDLabs 10.04OC2C=CC41c3c(ccc(OC)c3OC1C2)CN(CC4)C
FormulaC17 H21 N O3
Name(-)-GALANTHAMINE
ChEMBLCHEMBL659
DrugBankDB00674
ZINCZINC000000491073
PDB chain2ph9 Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ph9 Galanthamine and non-competitive inhibitor binding to ACh-binding protein: evidence for a binding site on non-alpha-subunit interfaces of heteromeric neuronal nicotinic receptors.
Resolution2.88 Å
Binding residue
(original residue number in PDB)		Y93 W147 Y188 C190 C191 Y195
Binding residue
(residue number reindexed from 1)		Y98 W152 Y193 C195 C196 Y200
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:2ph9, PDBe:2ph9, PDBj:2ph9
PDBsum2ph9
PubMed17481657
UniProtQ8WSF8

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