Structure of PDB 4dya Chain B Binding Site BS01

Receptor Information
>4dya Chain B (length=422) 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
DERRNKYLEEHPDPKKTGGPIYRRVDGKWRRELILYDKEEIRRIWRQANN
GDDATAGLTHMMIWHSNLNDATYQRTRALVRTGMDPRMCSLMQGSTLPRR
SGAAGAAVKGVGTMVMELIRMIKRRTRIAYERMCNILKGKFQTAAQRTMV
DQVRESRPGNAEFEDLIFLARSALILRGSVAHKSCLPACVYGSAVASGYD
FEREGYSLVGIDPFRLLQNSQVYSLIRPNENPAHKSQLVWMACHSAAFED
LRVSSFIRGTKVVPRGKLSTRGVQIASNENMETMESSTLELRSRYWAIRT
RSGGQISIQPTFSVQRNLPFDRPTIMAARTEIIRLMESARPEDVSFQGRG
VFELSDEKATSPIVPSFSYFFG
Ligand information
Ligand ID0MF
InChIInChI=1S/C27H24ClN5O7/c1-16-24(25(30-40-16)17-6-3-4-7-22(17)38-2)27(35)32-11-9-31(10-12-32)20-15-19(21(33(36)37)14-18(20)28)29-26(34)23-8-5-13-39-23/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)
InChIKeySFVFADOVSFCYBD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370COc1ccccc1c2noc(C)c2C(=O)N3CCN(CC3)c4cc(NC(=O)c5occc5)c(cc4Cl)[N+]([O-])=O
OpenEye OEToolkits 1.7.6Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccco5
FormulaC27 H24 Cl N5 O7
NameN-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide
ChEMBL
DrugBank
ZINCZINC000098207831
PDB chain4dya 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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PDB4dya To be determined
Resolution2.75 Å
Binding residue
(original residue number in PDB)		Y52 R99 W104 Y313 S376
Binding residue
(residue number reindexed from 1)		Y31 R74 W79 Y273 S336
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:4dya, PDBe:4dya, PDBj:4dya
PDBsum4dya
PubMed
UniProtQ1K9H2

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