Structure of PDB 4dyp Chain B Binding Site BS02

Receptor Information
>4dyp Chain B (length=418) Species: 382835 (Influenza A virus (A/WSN/1933(H1N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATEIRASVGKMIDGIGRFYIQMCTELKLSDYEGRLIQNSLTIERMVLSAF
DERRNKYLEEHPKKTGGPIYRRVDGKWRRELILYDKEEIRRIWRQANNGD
DATAGLTHMMIWHSNLNDATYQRTRALVRTGMDPRMCSLMQGSTLPRRSG
AAGAAVKGVGTMVMELIRMIKRRTRIAYERMCNILKGKFQTAAQRTMVDQ
VRESRNPGNAEFEDLIFLARSALILRGSVAHKSCLPACVYGSAVASGYDF
EREGYSLVGIDPFRLLQNSQVYSLIRPNENPAHKSQLVWMACHSAAFEDL
RVSSFIRGTKVVPRGKLSTRGVQIASNENMETMESSTLELRSRYWAIRTR
SGGQISIQPTFSVQRNLPFDRPTIMARTEIIRLMESARPEDVSFQGRGVF
ELSDEKATSPIVPSYFFG
Ligand information
Ligand ID0MS
InChIInChI=1S/C21H20BrClN4O2/c1-13-11-15(22)12-24-20(13)26-7-9-27(10-8-26)21(28)18-14(2)29-25-19(18)16-5-3-4-6-17(16)23/h3-6,11-12H,7-10H2,1-2H3
InChIKeyFJRSKYVUWHZUJT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br
CACTVS 3.370Cc1onc(c2ccccc2Cl)c1C(=O)N3CCN(CC3)c4ncc(Br)cc4C
FormulaC21 H20 Br Cl N4 O2
Name[4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
ChEMBL
DrugBank
ZINCZINC000095921086
PDB chain4dyp Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dyp To be determined
Resolution2.82 Å
Binding residue
(original residue number in PDB)		Y289 D302 R305 N309
Binding residue
(residue number reindexed from 1)		Y248 D261 R264 N268
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0005198 structural molecule activity
GO:0005515 protein binding
GO:0042802 identical protein binding
Biological Process
GO:0046718 symbiont entry into host cell
GO:0075732 viral penetration into host nucleus
Cellular Component
GO:0019013 viral nucleocapsid
GO:0019029 helical viral capsid
GO:0042025 host cell nucleus
GO:0043657 host cell
GO:1990904 ribonucleoprotein complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4dyp, PDBe:4dyp, PDBj:4dyp
PDBsum4dyp
PubMed
UniProtQ1K9H2

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