Structure of PDB 8z98 Chain A Binding Site BS02

Receptor Information
>8z98 Chain A (length=621) Species: 126796 (Thogoto virus (isolate SiAr 126)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDRPDHIDSRVWELSETQEDWITQVHGHVRRVVECWKYTICCLISNMHTH
RGAPQYDVFKWQDRSTIEWICSKKKVQYPERDTPDLYDNERAVAYKVLLV
SDLSDHSPTSGIYHDLAFNLEGEAEESCALVLRGSQLQDIKGFLCRALEW
VVSNNLTQEVVETISGEAKLQFSVGTTFRTLLKRDTDWDVIPTPRVEPNV
PRIEGRRWTQMKKLPLLKEKEGPPSPWRALLLGADSEYIVCPPGTDQEAI
SWIHSQSEIECIRESKSTPASVITCLTSSLQSFAEGNPVRSRIHEDIIAF
GINKKQEKKQSASSSASGEWKRAEYQVEEMSLPPWVEEEMVLLRSDQEDN
WIELEKNAIYTEVDGVAEGLVDKYIEIVGRTKVASVIEKWQIAATRTFSQ
LHTDRSRITACPIITRDPSGNCQFWGMVLLGPHHVKRDTDNAPLLIAEIM
GEDTEEKYPKHSVFSLKVEEKQFLLSLKITSFSRNKLYTFSNIRRVLIQP
ASIYSQVVLSRAAENNSLNLEVNPEIQLYLEGAQRGMTLYQWVRMILCLE
FLMAIYNNPQMEGFLANMRRLHMSRHAMMERRQVFLPFGSRPEDKVNECI
INNPIVAYLAKGWNSMPNVYY
Ligand information
Ligand IDV9G
InChIInChI=1S/C22H32N10O17P3/c1-30-7-32(18-11(30)19(36)29-22(24)28-18)20-14(35)12(33)8(46-20)3-44-50(37,38)48-52(41,42)49-51(39,40)45-4-9-13(34)15(43-2)21(47-9)31-6-27-10-16(23)25-5-26-17(10)31/h5-9,12-15,20-21,33-35H,3-4H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H2,23,25,26)(H3,24,28,29,36)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
InChIKeyWZAAWBDISKLAIE-NAGRZYTCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1C=[N](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OC)O)O)O
OpenEye OEToolkits 2.0.7CN1C=[N](C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)OC)O)O)O
CACTVS 3.385CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)[n]3cn(C)c4C(=O)NC(=Nc34)N)O[CH]1n5cnc6c(N)ncnc56
CACTVS 3.385CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n]3cn(C)c4C(=O)NC(=Nc34)N)O[C@H]1n5cnc6c(N)ncnc56
FormulaC22 H32 N10 O17 P3
Name7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE
ChEMBL
DrugBank
ZINC
PDB chain8z98 Chain D 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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PDB8z98 Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses
Resolution2.52 Å
Binding residue
(original residue number in PDB)		S268 G302 K305 K309
Binding residue
(residue number reindexed from 1)		S267 G301 K304 K308
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0042025 host cell nucleus
GO:0044423 virion component

View graph for
Cellular Component
External links
PDB RCSB:8z98, PDBe:8z98, PDBj:8z98
PDBsum8z98
PubMed38816392
UniProtP27194|PA_THOGV Polymerase acidic protein (Gene Name=Segment)

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