Structure of PDB 3s6y Chain C Binding Site BS01

Receptor Information
>3s6y Chain C (length=291) Species: 10886 (Mammalian orthoreovirus 3 Dearing) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLNQGVTSAGAPLSIRNNRMTMGLNDGLTLSGNNLAIRLPGNTGLNIQNG
GLQFRFNTDQFQIVNNNLTLKTTVFDSINSRIGAIEQSYVASAVTPLRLN
SSTKVLDMLIDSSTLEINSSGQLTVRSTSPNLRYPIADVSGGIGMSPNYR
FRQSMWIGIVSYSGSGLNWRVQVNSDIFIVDDYIHICLPAFDGFSIADGG
DLSLNFVTGLLPPLLTGDTEPAFHNDVVTYGAQTVAIGLSSGGTPQYMSK
NLWVEQWQDGVLRLRVEGGGSITHSNSKWPAMTVSYPRSFT
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 chain3s6y Chain E Residue 3 [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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PDB3s6y Crystal structure of reovirus attachment protein sigma1 in complex with sialylated oligosaccharides
Resolution2.79 Å
Binding residue
(original residue number in PDB)		I201 R202 L203 G205
Binding residue
(residue number reindexed from 1)		I37 R38 L39 G41
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0007155 cell adhesion
GO:0019058 viral life cycle
GO:0019062 virion attachment to host cell

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3s6y, PDBe:3s6y, PDBj:3s6y
PDBsum3s6y
PubMed21829363
UniProtP03528|SIGM1_REOVD Outer capsid protein sigma-1 (Gene Name=S1)

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