Structure of PDB 2zjv Chain B Binding Site BS02

Receptor Information
>2zjv Chain B (length=208) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDV
VFWQQTTWSDRTLAWDSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTP
QLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREI
SVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLN
FRKKGRSE
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 B 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)		W143 T144 Y185 C187 Y192
Binding residue
(residue number reindexed from 1)		W143 T144 Y185 C187 Y192
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.14,Kd=7.26uM
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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