Structure of PDB 2yoe Chain B Binding Site BS01

Receptor Information
>2yoe Chain B (length=307) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVEN
TQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSF
SNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEW
WIRGKASTHISDIRYDHLSSVQPNQNEFSRITVRIDAVRNPSYYLWSFIL
PLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTT
VIDQMIIAGYGSIFAAILLIIFAHHRQANGVEDDLLIQRCRLAFPLGFLA
IGCVLVI
Ligand information
Ligand IDFL7
InChIInChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeySAADBVWGJQAEFS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13
OpenEye OEToolkits 1.7.6CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl
ACDLabs 12.01Fc3ccccc3C2=NCC(=O)N(c1ccc(Cl)cc12)CCN(CC)CC
FormulaC21 H23 Cl F N3 O
NameFlurazepam
ChEMBLCHEMBL968
DrugBankDB00690
ZINCZINC000000537752
PDB chain2yoe Chain C Residue 1318 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yoe Pentameric Ligand-Gated Ion Channel Elic is Activated by Gaba and Modulated by Benzodiazepines.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		T87 G88 N89
Binding residue
(residue number reindexed from 1)		T77 G78 N79
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:2yoe, PDBe:2yoe, PDBj:2yoe
PDBsum2yoe
PubMed23035248
UniProtP0C7B7|ELIC_DICCH Cys-loop ligand-gated ion channel

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