Structure of PDB 2ph9 Chain A Binding Site BS01

Receptor Information
>2ph9 Chain A (length=213) Species: 6500 (Aplysia californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDDDKLHSQANLMRLKSDLFNRSYPGPTKDDPLTVTLGFTLQDIVKADSS
TNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSST
RPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGS
WVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYI
DVNLVVKFRERRA
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 A 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)		W147 Y188 Y195
Binding residue
(residue number reindexed from 1)		W151 Y192 Y199
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.89,Kd=1.3uM
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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