Structure of PDB 4mwr Chain A Binding Site BS01

Receptor Information

>4mwr Chain A (length=388) Species: 11320 (Influenza A virus)

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: 4mwr Chain A Residue 512

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4mwr Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
• Resolution: 1.797 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:4mwr, PDBe:4mwr, PDBj:4mwr
• PDBsum: 4mwr
• PubMed: 24165891
• UniProt: A0A024E3Q2