Structure of PDB 5l17 Chain A Binding Site BS01

Receptor Information

>5l17 Chain A (length=388) Species: 1332244 (Influenza A virus (A/Shanghai/02/2013(H7N9)))

RNFNNLTKGLCTINSWHIYGKDNAVRIGESSDVLVTREPYVSCDPDECRF
YALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGWSS
TSCHDGKSRMSICISGPNNNASAVVWYNRRPVAEINTWARNILRTQESEC
VCHNGVCPVVFTDGSATGPADTRIYYFKEGKILKWESLTGTAKHIEECSC
YGERTGITCTCRDNWQGSNRPVIQIDPVAMTHTSQYICSPVLTDNPRPND
PNIGKCNDPYPGNNNNGVKGFSYLDGANTWLGRTISTASRSGYEMLKVPN
ALTDDRSKPIQGQTIVLNADWSGYSGSFMDYWAEGDCYRACFYVELIRGR
PKEDKVWWTSNSIVSMCSSTEFLGQWNWPDGAKIEYFL

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: 5l17 Chain A Residue 511

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5l17 Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): D295 G299 D326 N348
• Binding residue (residue number reindexed from 1): D213 G217 D244 N266
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D152 E279 R294 R372 Y406
• Catalytic site (residue number reindexed from 1): D70 E197 R212 R290 Y324
• 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:5l17, PDBe:5l17, PDBj:5l17
• PDBsum: 5l17
• PubMed: 28934455
• UniProt: R4NFR6