Structure of PDB 3eym Chain D Binding Site BS01

Receptor Information
>3eym Chain D (length=172) Species: 11320 (Influenza A virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLFGAIAGFIENGWEGMIDGWYGFRHQNSEGTGQAADLKSTQAAIDQING
KLNRVIEKTNEKFHQIEKEFSEVEGRIQDLEKYVEDTKIDLWSYNAELLV
ALENQHTIDLTDSEMNKLFEKTRRQLRENAEEMGNGCFKIYHKCDNACIE
SIRNGTYDHDVYRDEALNNRFQ
Ligand information
Ligand IDEYK
InChIInChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
InChIKeyBGNXCDMCOKJUMV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(C)c1cc(O)ccc1O
OpenEye OEToolkits 1.5.0CC(C)(C)c1cc(ccc1O)O
ACDLabs 10.04Oc1ccc(O)cc1C(C)(C)C
FormulaC10 H14 O2
Name2-tert-butylbenzene-1,4-diol
ChEMBLCHEMBL242080
DrugBankDB07726
ZINCZINC000000388085
PDB chain3eym Chain D Residue 174 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3eym Structure of influenza hemagglutinin in complex with an inhibitor of membrane fusion
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y94 E97 L98
Binding residue
(residue number reindexed from 1)		Y94 E97 L98
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046789 host cell surface receptor binding
Biological Process
GO:0019064 fusion of virus membrane with host plasma membrane
Cellular Component
GO:0019031 viral envelope

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3eym, PDBe:3eym, PDBj:3eym
PDBsum3eym
PubMed19004788
UniProtP03437|HEMA_I68A0 Hemagglutinin (Gene Name=HA)

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