Structure of PDB 2w9l Chain L Binding Site BS01

Receptor Information
>2w9l Chain L (length=182) Species: 10514 (Canine adenovirus 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APITLWTGPGPSINGFINDTPVIRCFICLTRDSNLVTVNASFVGEGGYRI
VSPTQSQFSLIMEFDQFGQLMSTGNINSTTTWGEKPWGNNTVQPRPSHTW
KLCMPNREVYSTPAATISRCGLDSIAVDGAPSRSIDCMLIINKPKGVATY
TLTFRFLNFNRLSGGTLFKTDVLTFTYVGENQ
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 chain2w9l Chain e Residue 2 [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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PDB2w9l The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution.
Resolution2.91 Å
Binding residue
(original residue number in PDB)		S416 Q417 F418 S419 N435 R515
Binding residue
(residue number reindexed from 1)		S56 Q57 F58 S59 N75 R155
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:2w9l, PDBe:2w9l, PDBj:2w9l
PDBsum2w9l
PubMed19119424
UniProtQ65914|SPIKE_ADECT Fiber protein (Gene Name=L5)

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