Structure of PDB 6ty1 Chain I Binding Site BS01

Receptor Information
>6ty1 Chain I (length=320) Species: 1572188 (Influenza A virus (A/harbour seal/Germany/1/2014(H10N7))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPDKICLGHHAVANGTIVKTLTNEQEEVTNATETVESTSLNRLCMKGRNH
KDLGNCHPIGMLIGTPACDLHLTGTWDTLIERKNAIAYCYPGATVNEEAL
RQKIMESGGISKINTGFTYGSSINSAGTTKACMRNGGNSFYAELKWLVSK
NKGQNFPQTTNTYRNADTAEHLIMWGIHHPSSTQEKNDLYGTQSLSISVG
SSTYKNNFVPVVGARPQVNGLSSRIDFHWTLVQPGDKITFSHNGGLIAPS
RVSKLIGRGLGIQSEAPIDNSCESKCFWRGGSINTRLPFQNLSPRTVGQC
PKYVNKKSLMLATGMRNVPE
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 chain6ty1 Chain I Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6ty1 Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		T126 K128 W144 H176 L187 L219 S221
Binding residue
(residue number reindexed from 1)		T128 K130 W146 H178 L189 L221 S223
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:6ty1, PDBe:6ty1, PDBj:6ty1
PDBsum6ty1
PubMed33031770
UniProtA0A0A7HR51

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