Structure of PDB 4dyb Chain B Binding Site BS02

Receptor Information
>4dyb 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 ID0MH
InChIInChI=1S/C27H24ClN5O6S/c1-16-24(25(30-39-16)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)23-8-5-13-40-23/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)
InChIKeyHDEDVIXSWBFUIT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5cccs5
CACTVS 3.370COc1ccccc1c2noc(C)c2C(=O)N3CCN(CC3)c4cc(NC(=O)c5sccc5)c(cc4Cl)[N+]([O-])=O
FormulaC27 H24 Cl N5 O6 S
NameN-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide
ChEMBL
DrugBank
ZINCZINC000098207833
PDB chain4dyb 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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PDB4dyb To be determined
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y289 F291 Y296 D302 R305 L306 N309
Binding residue
(residue number reindexed from 1)		Y249 F251 Y256 D262 R265 L266 N269
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:4dyb, PDBe:4dyb, PDBj:4dyb
PDBsum4dyb
PubMed
UniProtQ1K9H2

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