Structure of PDB 6cex Chain E Binding Site BS01

Receptor Information
>6cex Chain E (length=318) Species: 506350 (Influenza A virus (A/Hong Kong/1/1968(H3N2))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGATLCLGHHAVPNGTLVKTITDDQIEVTNATELVQSSSTGKICNNPHRI
LDGIDCTLIDALLGDPHCDVFQNETWDLFVERSKAFSNCYPYDVPDYASL
RSLVASSGTLEFITEGFTWTGVTQNGGSNACKRGPGSGFFSRLNWLTKSG
STYPVLNVTMPNNDNFDKLYIWGVHHPSTNQEQTSLYVQASGRVTVSTRR
SQQTIIPNIGSRPWVRGLSSRISIYWTIVKPGDVLVINSNGNLIAPRGYF
KMRTGKSSIMRSDAPIDTCISECITPNGSIPNDKPFQNVNKITYGACPKY
VKQNTLKLATGMRNVPEK
Ligand information
Ligand IDNHE
InChIInChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)
InChIKeyMKWKNSIESPFAQN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(CC1)NCCS(=O)(=O)O
CACTVS 3.341O[S](=O)(=O)CCNC1CCCCC1
ACDLabs 10.04O=S(=O)(O)CCNC1CCCCC1
FormulaC8 H17 N O3 S
Name2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID;
N-CYCLOHEXYLTAURINE;
CHES
ChEMBL
DrugBankDB03309
ZINCZINC000001710230
PDB chain6cex Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cex A small-molecule fragment that emulates binding of receptor and broadly neutralizing antibodies to influenza A hemagglutinin.
Resolution2.57 Å
Binding residue
(original residue number in PDB)		G135 S136 W153 L226
Binding residue
(residue number reindexed from 1)		G127 S128 W145 L218
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6cex, PDBe:6cex, PDBj:6cex
PDBsum6cex
PubMed29610325
UniProtQ91MA7|HEMA_I68A4 Hemagglutinin (Gene Name=HA)

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