Structure of PDB 4dyp Chain B Binding Site BS01

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 A 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)		Y52 E53 R99 W104 Y313 S376
Binding residue
(residue number reindexed from 1)		Y31 E32 R72 W77 Y272 S335
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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