Structure of PDB 4dyn Chain B Binding Site BS01

Receptor Information
>4dyn Chain B (length=437) 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]
SYEQMETDGERQNATEIRASVGKMIDGIGRFYIQMCTELKLSDYEGRLIQ
NSLTIERMVLSAFDERRNKYLEEHPDPKKTGGPIYRRVDGKWRRELILYD
KEEIRRIWRQANNGDDATAGLTHMMIWHSNLNDATYQRTRALVRTGMDPR
MCSLMQGSTLPRRSGAAGAAVKGVGTMVMELIRMIKRRTRIAYERMCNIL
KGKFQTAAQRTMVDQVRESRNPGNAEFEDLIFLARSALILRGSVAHKSCL
PACVYGSAVASGYDFEREGYSLVGIDPFRLLQNSQVYSLIRPNENPAHKS
QLVWMACHSAAFEDLRVSSFIRGTKVVPRGKLSTRGVQIASNENMETMES
STLELRSRYWAIRTRSGSSGQISIQPTFSVQRNLPFDRPTIMAARTEIIR
LMESARPEDVSFQGRGVFELSDEKATSPIVPSSYFFG
Ligand information
Ligand ID0MR
InChIInChI=1S/C28H25ClN6O6/c1-17-25(26(32-41-17)18-7-3-4-9-24(18)40-2)28(37)34-13-11-33(12-14-34)22-16-21(23(35(38)39)15-19(22)29)31-27(36)20-8-5-6-10-30-20/h3-10,15-16H,11-14H2,1-2H3,(H,31,36)
InChIKeyQSXDDWUUADOGGK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccccn5
CACTVS 3.370COc1ccccc1c2noc(C)c2C(=O)N3CCN(CC3)c4cc(NC(=O)c5ccccn5)c(cc4Cl)[N+]([O-])=O
FormulaC28 H25 Cl N6 O6
NameN-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide
ChEMBL
DrugBank
ZINCZINC000098207836
PDB chain4dyn 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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PDB4dyn To be determined
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y52 R99 W104 Y313 S376
Binding residue
(residue number reindexed from 1)		Y44 R87 W92 Y287 S350
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:4dyn, PDBe:4dyn, PDBj:4dyn
PDBsum4dyn
PubMed
UniProtQ1K9H2

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