Structure of PDB 4dj8 Chain C Binding Site BS01
Receptor Information
>4dj8 Chain C (length=316) Species:
680693
(Influenza A virus (A/Netherlands/219/2003(H7N7))) [
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DKICLGHHAVSNGTKVNTLTERGVEVVNATETVERTNVPRICSKGKRTVD
LGQCGLLGTITGPPQCDQFLEFSADLIIERREGSDVCYPGKFVNEEALRQ
ILRESGGIDKETMGFTYSGIRTNGTTSACRRSGSSFYAEMKWLLSNTDNA
AFPQMTKSYKNTRKDPALIIWGIHHSGSTTEQTKLYGSGNKLITVGSSNY
QQSFVPSPGARPQVNGQSGRIDFHWLILNPNDTVTFSFNGAFIAPDRASF
LRGKSMGIQSEVQVDANCEGDCYHSGGTIISNLPFQNINSRAVGKCPRYV
KQESLLLATGMKNVPE
Ligand information
Ligand ID
SIA
InChI
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1
InChIKey
SQVRNKJHWKZAKO-YRMXFSIDSA-N
SMILES
Software
SMILES
CACTVS 3.341
CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 1.5.0
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
OpenEye OEToolkits 1.5.0
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
ACDLabs 10.04
O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
CACTVS 3.341
CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Formula
C11 H19 N O9
Name
N-acetyl-alpha-neuraminic acid;
N-acetylneuraminic acid;
sialic acid;
alpha-sialic acid;
O-SIALIC ACID
ChEMBL
CHEMBL1234621
DrugBank
DB03721
ZINC
ZINC000004081651
PDB chain
4dj8 Chain C Residue 404 [
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Receptor-Ligand Complex Structure
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PDB
4dj8
Structure and receptor complexes of the hemagglutinin from a highly pathogenic H7N7 influenza virus.
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
Y88 T125 T126 H174 Q217
Binding residue
(residue number reindexed from 1)
Y88 T125 T126 H174 Q217
Annotation score
4
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:4dj8
,
PDBe:4dj8
,
PDBj:4dj8
PDBsum
4dj8
PubMed
22674977
UniProt
Q6VMK1
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