Structure of PDB 2zjv Chain E Binding Site BS02

Receptor Information
>2zjv Chain E (length=208) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AADRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVD
VVFWQQTTWSDRTLAWDSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLT
PQLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSRE
ISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSL
NFRKKGRS
Ligand information
Ligand IDCT4
InChIInChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
InChIKeyPGOOBECODWQEAB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN/C(=N\[N+](=O)[O-])/NCc1cnc(s1)Cl
CACTVS 3.341CNC(/NCc1sc(Cl)nc1)=N\[N+]([O-])=O
CACTVS 3.341CNC(NCc1sc(Cl)nc1)=N[N+]([O-])=O
OpenEye OEToolkits 1.5.0CNC(=N[N+](=O)[O-])NCc1cnc(s1)Cl
ACDLabs 10.04Clc1ncc(s1)CN/C(=N/[N+]([O-])=O)NC
FormulaC6 H8 Cl N5 O2 S
Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
ChEMBLCHEMBL259727
DrugBank
ZINCZINC000013827936
PDB chain2zjv Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zjv Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y89 W143 T144 Y185 C187 Y192
Binding residue
(residue number reindexed from 1)		Y90 W144 T145 Y186 C188 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
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:2zjv, PDBe:2zjv, PDBj:2zjv
PDBsum2zjv
PubMed18338186
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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