Structure of PDB 4qn5 Chain B Binding Site BS01

Receptor Information
>4qn5 Chain B (length=394) Species: 352705 (Influenza A virus (A/mallard duck/ALB/60/1976(H12N5))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEFLNNTEPLCNVSGFAIVSKDNGIRIGSRGHVFVIREPFVACGPTECRT
FFLTQGALLNDKHSNNTVKDRSPYRALMSVPLGSSPNAYQAKFESVAWSA
TACHDGKKWLAVGISGADDDAYAVIHYGGMPTDVVRSWRKQILRTQESSC
VCMNGNCYWVMTDGPANSQASYKIFKSHEGMVTNEREVSFQGGHIEECSC
YPNLGKVECVCRDNWNGMNRPILIFDEDLDYEVGYLCAGIPTDTPRVQDS
SFTGSCTNAVGGSGTNNYGVKGFGFRQGNSVWAGRTVSISSRSGFEILLI
EDGWIRTSKTIVKKVEVLNNKNWSGYSGAFTIPITMTSKQCLVPCFWLEM
IRGKPEERTSIWTSSSSTVFCGVSSEVPGWSWDDGAILPFDIDK
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 chain4qn5 Chain E Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qn5 Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		S288 S291 S293 N320 K321 N322 W323
Binding residue
(residue number reindexed from 1)		S288 S291 S293 N320 K321 N322 W323
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D70 E197 R212 R292 Y326
Catalytic site (residue number reindexed from 1) D70 E197 R212 R292 Y326
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
GO:0046761 viral budding from plasma membrane
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:4qn5, PDBe:4qn5, PDBj:4qn5
PDBsum4qn5
PubMed24899180
UniProtQ20UH7

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