Structure of PDB 6hfy Chain B Binding Site BS05

Receptor Information
>6hfy Chain B (length=389) Species: 383550 (Influenza A virus (A/duck/England/1/1956(H11N6))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTFLNLTKPLCEVNSWHILSKDNAIRIGEDAHILVTREPYLSCDPQGCRM
FALSQGTTLRGRHANGTIHDRSPFRALISWEMGQAPSPYNTRVECIGWSS
TSCHDGMSRMSICMSGPNNNASAVVWYGGRPITEIPSWAGNILRTQESEC
VCHKGVCPVVMTDGPANNRAATKIIYFKEGKIQKIEELAGNAQHIEECSC
YGAGGVIKCICRDNWKGANRPVITIDPEMMTHTSKYLCSKVLTDTSRPND
PTNGNCDAPITGGSPDPGVKGFAFLDGENSWLGRTISKDSRSGYEMLKVP
NAETDIQSGPISNQVIVNNQNWSGYSGAFIDYWANKECFNPCFYVELIRG
RPKESSVLWTSNSIVALCGSKKRLGSWSWHDGAEIIYFE
Ligand information
Ligand IDDAN
InChIInChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
InChIKeyJINJZWSZQKHCIP-UFGQHTETSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=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
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
CACTVS 3.341CC(=O)N[CH]1[CH](O)C=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O
FormulaC11 H17 N O8
Name2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID;
Neu5Ac2en
ChEMBLCHEMBL96712
DrugBankDB03991
ZINCZINC000004096465
PDB chain6hfy Chain B Residue 510 [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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PDB6hfy High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
Resolution1.65 Å
Binding residue
(original residue number in PDB)		R118 E119 D151 R152 W179 A247 E277 R293 R372 Y406
Binding residue
(residue number reindexed from 1)		R37 E38 D70 R71 W98 A166 E196 R212 R291 Y325
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D151 E278 R293 R372 Y406
Catalytic site (residue number reindexed from 1) D70 E197 R212 R291 Y325
Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0016020 membrane
GO:0033644 host cell membrane
GO:0055036 virion membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6hfy, PDBe:6hfy, PDBj:6hfy
PDBsum6hfy
PubMed
UniProtQ6XV27|NRAM_I56A2 Neuraminidase (Gene Name=NA)

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