Structure of PDB 7fgd Chain A Binding Site BS01

Receptor Information
>7fgd Chain A (length=387) Species: 11309 (unidentified influenza virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKYRMSRPTCRGQKWTVMSNVWTSRWVATGTNARNIRPPTAIFLKKGLRA
VSLAHNTAGPNPLSGTGSDRSEFRDLITWSPSGYPGDESTETICKAWSFF
ACFDGKEDLIGCISGPDNNAVLTIMYGGKPTDLYNSYALDILRTMESQCV
CNNGTCSAMITDGPDIGPSKARMLFIKEGKIEKVVIVDGPGSSMVEECSC
INEDSNEFGCLCRDNTANSRRPFLKCFWDSRTCKADYTCSQTLLDCPRPN
DSIQTCGTSFGSLAGGLKGAYIPLGKGRICATRTVDKIQRKGMELMCTNG
NILLEQDAMKKIGDLVTPTAQTGYSSATTIPRATEECDTICVATELVFSG
AKGTNADLVIHCLLGEARETESVVTAVVDRTTYSSLL
Ligand information
Ligand IDG39
InChIInChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
InChIKeyNENPYTRHICXVCS-YNEHKIRRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O
OpenEye OEToolkits 1.7.0CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O
CACTVS 3.370CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
CACTVS 3.370CCC(CC)O[CH]1C=C(C[CH](N)[CH]1NC(C)=O)C(O)=O
ACDLabs 12.01O=C(O)C1=CC(OC(CC)CC)C(NC(=O)C)C(N)C1
FormulaC14 H24 N2 O4
Name(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid;
Oseltamivir carboxylate
ChEMBLCHEMBL674
DrugBankDB02600
ZINCZINC000003929509
PDB chain7fgd Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7fgd A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D148 R149 R292 N294 R369 Y403
Binding residue
(residue number reindexed from 1)		D69 R70 R213 N215 R290 Y324
Annotation score1
Enzymatic activity
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7fgd, PDBe:7fgd, PDBj:7fgd
PDBsum7fgd
PubMed36191180
UniProtA0A2P1GNT2

[Back to BioLiP]