Structure of PDB 5b7b Chain D Binding Site BS01

Receptor Information
>5b7b Chain D (length=419) Species: 381518 (Influenza A virus (A/Wilson-Smith/1933(H1N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NATEIRASVGKMIDGIGRFYIQMCTELKLSDYEGRLIQNSLTIERMVLSA
FDTGGPIYRRVDGKWRRELILYDKEEIRRIWRQANNGDDATAGLTHMMIW
HSNLNDATYQRTRALVRTGMDPRMCSLMQGSTLPRRSGAAGAAVKGVGTM
VMELIRMIKRGIRRTRIAYERMCNILKGKFQTAAQRTMVDQVRESRNPGN
AEFEDLIFLARSALILRGSVAHKSCLPACVYGSAVASGYDFEREGYSLVG
IDPFRLLQNSQVYSLIRPNENPAHKSQLVWMACHSAAFEDLRVSSFIRGT
KVVPRGKLSTRGVQIASNENMETMESSTLELRSRYWAIRTRSGGNTSGQI
SIQPTFSVQRNLPFDRPTIMAASDMRTEIIRLMESARPEDVSFQGRGVFE
LSDEKATSPIVPSFGSYFF
Ligand information
Ligand IDNUZ
InChIInChI=1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3
InChIKeyOWXBJAPOSQSWAO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01[O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2ccccc2)C)CC4
CACTVS 3.385Cc1onc(c2ccccc2)c1C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+]([O-])=O
OpenEye OEToolkits 1.9.2Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]
FormulaC21 H19 Cl N4 O4
Name[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone;
nucleozin
ChEMBLCHEMBL2032324
DrugBank
ZINCZINC000008781115
PDB chain5b7b Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5b7b Structural Characterization of H1N1 Nucleoprotein-Nucleozin Binding Sites
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Y289 N309
Binding residue
(residue number reindexed from 1)		Y239 N259
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0005198 structural molecule activity
Biological Process
GO:0039689 negative stranded viral RNA replication
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:5b7b, PDBe:5b7b, PDBj:5b7b
PDBsum5b7b
PubMed27404920
UniProtP15682|NCAP_I33A0 Nucleoprotein (Gene Name=NP)

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