Structure of PDB 2wbv Chain F Binding Site BS01

Receptor Information
>2wbv Chain F (length=184) Species: 10514 (Canine adenovirus 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAAPITLWTGPGPSINGFINDTPVIRCFICLTRDSNLVTVNASFVGEGGY
RIVSPTQSQFSLIMEFDQFGQLMSTGNINSTTTWGEKPWGNNTVQPRPSH
TWKLCMPNREVYSTPAATISRCGLDSIAVDGAPSRSIDCMLIINKPKGVA
TYTLTFRFLNFNRLSGGTLFKTDVLTFTYVGENQ
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 chain2wbv Chain F Residue 1544 [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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PDB2wbv The Cell Adhesion Molecule "Car" and Sialic Acid on Human Erythrocytes Influence Adenovirus in Vivo Biodistribution.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S416 Q417 F418 S419 N435 R515
Binding residue
(residue number reindexed from 1)		S58 Q59 F60 S61 N77 R157
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007155 cell adhesion
GO:0019058 viral life cycle
GO:0019062 virion attachment to host cell

View graph for
Biological Process
External links
PDB RCSB:2wbv, PDBe:2wbv, PDBj:2wbv
PDBsum2wbv
PubMed19119424
UniProtQ65914|SPIKE_ADECT Fiber protein (Gene Name=L5)

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