Structure of PDB 4gdi Chain A Binding Site BS01

Receptor Information

>4gdi Chain A (length=367) Species: 1129346 (Influenza A virus (A/little yellow-shouldered bat/Guatemala/164/2009(H17N10)))

FYWRAKSQMCEVKGWVPTHRGFPWGPELPGDLILSRRAYVSCDLTSCFKF
FIAYGLSANQHLLNTSMEWEESLYKTPIGSASTLSTSEMILPGRSSSACF
DGLKWTVLVANGRDRNSFIMIKYGEEVTDTFSASRGGPLRLPNSECICIE
GSCFVIVSDGPNVNQSVHRIYELQNGTVQRWKQLNTTGINFEYSTCYTIN
NLIKCTGTNLWNDAKRPLLRFTKELNYQIVEPCNGAPTDFPRGGLTTPSC
KMAQEKGEGGIQGFILDEKPAWTSKTKAESSQNGFVLEQIPNGIESEGTV
SLSYELFSNKRTGRSGFFQPKGDLISGCQRICFWLEIEDQTVGLGMIQEL
STFCGINSPVQNINWDS

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: 4gdi Chain A Residue 509

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gdi Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): N293 D297 D324 G345 G347
• Binding residue (residue number reindexed from 1): N209 D213 D239 G257 G259
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): W151 Y277 T292 Q371 R406
• Catalytic site (residue number reindexed from 1): W69 Y193 T208 Q282 R314
• 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

Cellular Component

• GO:0016020 membrane
• GO:0033644 host cell membrane
• GO:0055036 virion membrane

External links

• PDB: RCSB:4gdi, PDBe:4gdi, PDBj:4gdi
• PDBsum: 4gdi
• PubMed: 23012478
• UniProt: H6QM85