Structure of PDB 1nsd Chain B Binding Site BS01

Receptor Information
>1nsd Chain B (length=390) Species: 11525 (Influenza B virus (STRAIN B/BEIJING/1/87)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPEWTYPRLSCQGSTFQKALLISPHRFGEARGNSAPLIIREPFIACGPKE
CKHFALTHYAAQPGGYYNGTREDRNKLRHLISVKLGKIPTVENSIFHMAA
WSGSACHDGREWTYIGVDGPDSNALIKIKYGEAYTDTYHSYANNILRTQE
SACNCIGGDCYLMITDGSASGISKCRFLKIREGRIIKEIFPTGRVEHTEE
CTCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRLMCTETYLDTP
RPDDGSITGPCESNGDKGRGGIKGGFVHQRMASKIGRWYSRTMSKTERMG
MELYVRYDGDPWTDSDALAHSGVMVSMKEPGWYSFGFEIKDKKCDVPCIG
IEMVHDGGKKTWHSAATAIYCLMGSGQLLWDTVTGVDMAL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1nsd Chain B Residue 469 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nsd Influenza B virus neuraminidase can synthesize its own inhibitor.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D292 T296 D323 G343 G345
Binding residue
(residue number reindexed from 1)		D217 T221 D248 G268 G270
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D148 E275 R291 R373 Y408
Catalytic site (residue number reindexed from 1) D73 E200 R216 R298 Y333
Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0046761 viral budding from plasma membrane
Cellular Component
GO:0016020 membrane
GO:0033644 host cell membrane
GO:0055036 virion membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1nsd, PDBe:1nsd, PDBj:1nsd
PDBsum1nsd
PubMed8069621
UniProtP27907|NRAM_INBBE Neuraminidase (Gene Name=NA)

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