Structure of PDB 1rvt Chain J Binding Site BS02

Receptor Information
>1rvt Chain J (length=324) Species: 11309 (unidentified influenza virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTLCIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCRLGGIAPL
QLGKCNIAGWLLGNPECDLLLTVSSWSYIVETSNSDNGTCYPGDFIDYEE
LREQLSSVSSFEKFEIFPKTSSWPNHETTRGVTAACPYAGASSFYRNLLW
LVKKGNSYPKLSKSYVNNKGKEVLVLWGVHHPPTSTDQQSLYQNADAYVS
VGSSKYDRRFTPEIAARPKVRGQAGRMNYYWTLLEPGDTITFEATGNLVA
PRYAFALNRGSGSGIITSDAPVHDCDTKCQTPHGAINSSLPFQNIHPVTI
GECPKYVKSTKLRMATGLRNIPAR
Ligand information
Ligand IDSIA
InChIInChI=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
InChIKeySQVRNKJHWKZAKO-YRMXFSIDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
OpenEye OEToolkits 1.5.0CC(=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 10.04O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
CACTVS 3.341CC(=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
FormulaC11 H19 N O9
NameN-acetyl-alpha-neuraminic acid;
N-acetylneuraminic acid;
sialic acid;
alpha-sialic acid;
O-SIALIC ACID
ChEMBLCHEMBL1234621
DrugBankDB03721
ZINCZINC000004081651
PDB chain1rvt Chain B Residue 5 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rvt The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y95 V135 T136 A137 W153 H183 L194 Q226
Binding residue
(residue number reindexed from 1)		Y91 V132 T133 A134 W150 H180 L191 Q223
Annotation score4
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:1rvt, PDBe:1rvt, PDBj:1rvt
PDBsum1rvt
PubMed14764886
UniProtQ82500

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