Structure of PDB 8be0 Chain C Binding Site BS03

Receptor Information
>8be0 Chain C (length=731) Species: 1601067 (Influenza B virus (B/Memphis/13/2003)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTLAKIELLKQLLRDNEAKTVLKQTTVDQYNIIRKFNTSRIEKNPSLRMK
WAMCSNFPLALTKGDMANRIPLEYKGIQLKTNKGQMCSIAAVTWWNTYGP
IGDTEGFERVYESFFLRKMRLDNATWGRITFGPVERVRKRVLLNPLTKEM
PPDEASNVIMEILFPKEAGIPRESTWIHRELIKEKREKLKGTMITPIVLA
YMLERELVARRRFLPVAGATSAEFIEMLHCLQGENWRQIYHPGGNKLTES
RSQSMIVACRKIIRRSIVASNPLELAVEIANKTVIDTEPLKSCLAAIDGG
DVACDIIRAALGLKIRQRQRFGRLELKRISGRGFKNDEEILIGNGTIQKI
GIWDGEEEFHVRCGECRGILKKSKMKLEKLLINSAKKEDMRDLIILCMVF
SQDTRMFQGVRGEINFLNRAGQLLSPMYQLQRYFLNRSNDLFDQWGYEES
PKASELHGINESMNASDYTLKGVVVTRNVIDDFSTEKVSITKNLSLIKRT
GEVIMGANDVSELESQAQLMITYDTPKMWEMGTTKELVQNTYQWVLKNLV
TLKAQFLLGKEDMFQWDAFEAFESIIPQKMAGQYSGFARAVLKQMRDQEV
MKTDQFIKLLPFCFSPPKLRSNGEPYQFLKLVLKGGGENFIEVRKGSPLF
SYNPQTEVLTICGRMMSLKGKIEDEERNRSMGNAVLAGFLVSGKYDPDLG
DFKTIEELEKLKPGEKANILLYQGKPVKVVK
Ligand information
Ligand IDGTA
InChIInChI=1S/C21H29N10O17P3/c1-29-6-31(17-10(29)18(36)28-21(23)27-17)20-14(35)12(33)8(46-20)3-44-50(39,40)48-51(41,42)47-49(37,38)43-2-7-11(32)13(34)19(45-7)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-35H,2-3H2,1H3,(H7-,22,23,24,25,27,28,36,37,38,39,40,41,42)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKeyQQOHNVHGNZYSBP-XPWFQUROSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O
OpenEye OEToolkits 1.5.0C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O
CACTVS 3.341C[n+]1cn([C@@H]2O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O)c6N=C(N)NC(=O)c16
CACTVS 3.341C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)c6N=C(N)NC(=O)c16
ACDLabs 10.04O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)N
FormulaC21 H30 N10 O17 P3
NameP1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE;
7-METHYL-GPPPA
ChEMBL
DrugBankDB01649
ZINCZINC000096006025
PDB chain8be0 Chain M Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8be0 Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		I262 R266 G306 Q325 R326 K341 W359 F406 S520 L522
Binding residue
(residue number reindexed from 1)		I256 R260 G300 Q319 R320 K335 W353 F400 S511 L513
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
Biological Process
GO:0001172 RNA-templated transcription
GO:0006351 DNA-templated transcription
GO:0006370 7-methylguanosine mRNA capping
GO:0019083 viral transcription
GO:0039523 symbiont-mediated suppression of host mRNA transcription via inhibition of RNA polymerase II activity
GO:0039694 viral RNA genome replication
GO:0075526 cap snatching
Cellular Component
GO:0033650 host cell mitochondrion
GO:0042025 host cell nucleus
GO:0044423 virion component

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8be0, PDBe:8be0, PDBj:8be0
PDBsum8be0
PubMed36596301
UniProtQ5V8X3

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