Structure of PDB 3ti8 Chain B Binding Site BS01

Receptor Information

>3ti8 Chain B (length=394) Species: 385582 (Influenza A virus (A/duck/Alberta/60/1976(H12N5)))

PEFLNNTEPLCNVSGFAIVSKDNGIRIGSRGHVFVIREPFVACGPTECRT
FFLTQGALLNDKHSNNTVKDRSPYRALMSVPLGSSPNAYQAKFESVAWSA
TACHDGKKWLAVGISGADDDAYAVIHYGGMPTDVVRSWRKQILRTQESSC
VCMNGNCYWVMTDGPANSQASYKIFKSHEGMVTNEREVSFQGGHIEECSC
YPNLGKVECVCRDNWNGMNRPILIFDEDLDYEVGYLCAGIPTDTPRVQDS
SFTGSCTNAVGGSGTNNYGVKGFGFRQGNSVWAGRTVSISSRSGFEILLI
EDGWIRTSKTIVKKVEVLNNKNWSGYSGAFTIPITMTSKQCLVPCFWLEM
IRGKPEERTSIWTSSSSTVFCGVSSEVPGWSWDDGAILPFDIDK

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: 3ti8 Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ti8 Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
• Resolution: 1.601 Å
• Binding residue (original residue number in PDB): D293 G297 D324 Y347B
• Binding residue (residue number reindexed from 1): D213 G217 D243 Y268
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D151 E277 R292 R371 Y406
• 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

External links

• PDB: RCSB:3ti8, PDBe:3ti8, PDBj:3ti8
• PDBsum: 3ti8
• PubMed: 22028647
• UniProt: A1ILL9