Structure of PDB 8bf5 Chain C Binding Site BS03

Receptor Information
>8bf5 Chain C (length=729) 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
WAMCSNFPLALTKGDMANRIPLEYKGIQLKTNAEDIGTKGQMCSIAAVTW
WNTYGPIGDTEGFERVYESFFLRKMRLDNATWGRITFGPVERVRKRVLLN
PLTKEMPPDEASNVIMEILFPKEAGIPRESTWIHRELIKEKREKLKGTMI
TPIVLAYMLERELVARRRFLPVAGATSAEFIEMLHCLQGENWRQIYHPGG
NKLTESRSQSMIVACRKIIRRSIVASNPLELAVEIANKTVIDTEPLKSCL
AAIDGGDVACDIIRAALGLKIRQRQRFGRLELKRISGRGFKNDEEILIGN
GTIQKIGIWDGEEEFHVRCGECRGILKKSKMKLEKLLINSAKKEDMRDLI
ILCMVFSQDTRMFQGVRGEINFLNRAGQLLSPMYQLQRYFLNRSNDLFDQ
WGYEESPKASELHGINESMNASDYTLKGVVVTRNKVSITKNLSLIKRTGE
VIMGANDVSELESQAQLMITYDTPKMWEMGTTKELVQNTYQWVLKNLVTL
KAQFLLGKEDMFQWDAFEAFESIIPQKMAGQYSGFARAVLKQMRDQEVMK
TDQFIKLLPFCFSPPKLRSNGEPYQFLKLVLKGGGENFIEVRKGSPLFSY
NPQTEVLTICGRMMSLKGKIEDEERNRSMGNAVLAGFLVSGKYDPDLGDF
KTIEELEKLKPGEKANILLYQGKPVKVVK
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 chain8bf5 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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PDB8bf5 Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Resolution2.96 Å
Binding residue
(original residue number in PDB)		I262 R266 G306 Q325 R326 K341 W359 E363 F365 K378 F406 Y434 S520 L522
Binding residue
(residue number reindexed from 1)		I262 R266 G306 Q325 R326 K341 W359 E363 F365 K378 F406 Y434 S509 L511
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:8bf5, PDBe:8bf5, PDBj:8bf5
PDBsum8bf5
PubMed36596301
UniProtQ5V8X3

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