Structure of PDB 6cf5 Chain C Binding Site BS01

Receptor Information

>6cf5 Chain C (length=323) Species: 284218 (Influenza A virus (A/Viet Nam/1203/2004(H5N1)))

PGDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKKHNGKLCDLDGVK
PLILRDCSVAGWLLGNPMCDEFINVPEWSYIVEKANPVNDLCYPGDFNDY
EELKHLLSRINHFEKIQIIPKSSWSSHEASLGVSSACPYQGKSSFFRNVV
WLIKKNSTYPTIKRSYNNTNQEDLLVLWGIHHPNDAAEQTKLYQNPTTYI
SVGTSTLNQRLVPRIATRSKVNGQSGRMEFFWTILKPNDAINFESNGNFI
APEYAYKIVKKGDSTIMKSELEYGNCNTKCQTPMGAINSSMPFHNIHPLT
IGECPKYVKSNRLVLATGLRNSP

Ligand information

• Ligand ID: NHE
• InChI: InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)
• InChIKey: MKWKNSIESPFAQN-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1CCC(CC1)NCCS(=O)(=O)O
  CACTVS 3.341: O[S](=O)(=O)CCNC1CCCCC1
  ACDLabs 10.04: O=S(=O)(O)CCNC1CCCCC1
• Formula: C8 H17 N O3 S
• Name: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID;
  N-CYCLOHEXYLTAURINE;
  CHES
• DrugBank: DB03309
• ZINC: ZINC000001710230
• PDB chain: 6cf5 Chain C Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6cf5 A small-molecule fragment that emulates binding of receptor and broadly neutralizing antibodies to influenza A hemagglutinin.
• Resolution: 2.04 Å
• Binding residue (original residue number in PDB): L133A V135 S136 S137 W153 I155 L194 Q226
• Binding residue (residue number reindexed from 1): L131 V133 S134 S135 W151 I153 L192 Q224
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0046789 host cell surface receptor binding

Biological Process

• GO:0019064 fusion of virus membrane with host plasma membrane

Cellular Component

• GO:0019031 viral envelope

External links

• PDB: RCSB:6cf5, PDBe:6cf5, PDBj:6cf5
• PDBsum: 6cf5
• PubMed: 29610325
• UniProt: Q6DQ33