Structure of PDB 4zru Chain D Binding Site BS01

Receptor Information
>4zru Chain D (length=206) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVD
VVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLT
PQLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSRE
ISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSL
NFRKKG
Ligand information
Ligand IDTI9
InChIInChI=1S/C11H12N2/c1-3-10(9-12-7-1)5-6-11-4-2-8-13-11/h1,3,7,9,11,13H,2,4,8H2/t11-/m0/s1
InChIKeyYOOCTKCKTOXZCT-NSHDSACASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1CCNC1C#Cc2cnccc2
OpenEye OEToolkits 1.9.2c1cc(cnc1)C#C[C@@H]2CCCN2
CACTVS 3.385C1CN[CH](C1)C#Cc2cccnc2
CACTVS 3.385C1CN[C@@H](C1)C#Cc2cccnc2
OpenEye OEToolkits 1.9.2c1cc(cnc1)C#CC2CCCN2
FormulaC11 H12 N2
Name3-[(2S)-pyrrolidin-2-ylethynyl]pyridine
ChEMBL
DrugBank
ZINC
PDB chain4zru Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zru Comparisons of Binding Affinities for Neuronal Nicotinic Receptors (NNRs) and AChBPs, and Structural Features of a High-Affinity, Non-selective NNR Ligand-AChBP Co-crystal Structure
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y89 W143 Y192
Binding residue
(residue number reindexed from 1)		Y90 W144 Y193
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:0005231 excitatory extracellular ligand-gated monoatomic ion channel activity
GO:1904315 transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential
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:0005576 extracellular region
GO:0016020 membrane
GO:0043005 neuron projection
GO:0043083 synaptic cleft
GO:0045202 synapse
GO:0098794 postsynapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4zru, PDBe:4zru, PDBj:4zru
PDBsum4zru
PubMed
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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