Structure of PDB 1nnb Chain A Binding Site BS01

Receptor Information

>1nnb Chain A (length=387) Species: 11320 (Influenza A virus)

DFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTREPYVSCDPDECRFY
ALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGWSST
SCHDGKTRMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESECV
CHNGVCPVVFTDGSATGPAETRIYYFKEGKILKWEPLAGTAKHIEECSCY
GERAEITCTCRDNWQGSNRPVIRIDPVAMTHTSQYICSPVLTDNPRPNDP
TVGKCNDPYPGNNNNGVKGFSYLDGVNTWLGRTISIASRSGYEMLKVPNA
LTDDKSKPTQGQTIVLNTDWSGYSGSFMDYWAEGECYRACFYVELIRGRP
KEDKVWWTSNSIVSMCSSTEFLGQWDWPDGAKIEYFL

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 1nnb Chain A Residue 471

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1nnb Three-dimensional structure of influenza A N9 neuraminidase and its complex with the inhibitor 2-deoxy 2,3-dehydro-N-acetyl neuraminic acid.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): D295 G299 D326 N348
• Binding residue (residue number reindexed from 1): D212 G216 D243 N265
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D152 E279 R294 R372 Y406
• Catalytic site (residue number reindexed from 1): D69 E196 R211 R289 Y323
• 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

External links

• PDB: RCSB:1nnb, PDBe:1nnb, PDBj:1nnb
• PDBsum: 1nnb
• PubMed: 8371267
• UniProt: P03472|NRAM_I75A5 Neuraminidase (Gene Name=NA)