Structure of PDB 8z90 Chain B Binding Site BS03

Receptor Information
>8z90 Chain B (length=710) Species: 126796 (Thogoto virus (isolate SiAr 126)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLFTPLSEINPTTTQELLYAYTGPAPVAYGTRTRAVLENIIRPYQYFYK
EPNVQRALDIKTGCKEPEDINVEGPSSGFHTASVLKLADNFFRKYRPAME
KLKYWILVKLPKLKYAELSKGRQTYSFIHKRNLPAPIALEETVEFLEQNL
RRKIGPTLLSYCQAIADVMELDETTYEGARDPRPWDIQLEEIDSDEEDPL
FRQVGREETYTIKFSREELWDQMRTLNTMWKHLERGRLNRRTIATPSMLI
RGFVKIVEDAAKEILENVPTSGVPVGGEEKLAKLASKQTFHTAVTGELSG
DQEKFNECLDPDAMRLMWTVFLRKLGCPDWIMELFNIPFMVFKSKLADMG
EGLVYTKGKLTDRKPLGEMPSEFDDLVRNVVGNSISCRLGMFMGMYNLTS
TLLALISIEREELTGSHVESSDDFIHFFNCKTHEEMFKQAETLRLTLKLV
GINMSPSKCILISPAGIGEFNSKFHHRDFVGNVATELPALVPNGTNPMTD
LAMGLNVIKHSVNTGQMNLCTGALAMRIFNHAYKYAYMALGVTRRTRFME
ENAITPLLTNQGASPVHSFSTMHLDEVALRRHLGLLDEETLRRILNPNNP
VTQKGDPSMFFRIENKMPQIMEDYSVPSCFKYTLSRNRTIQDKPHKALLN
KEERYQRVTSIINKLFPEVLIQEASAPGTVRESLKRRLELVVERSDLDEE
RKKRILSRIF
Ligand information
Ligand IDG2P
InChIInChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-30(20,21)3-31(22,23)29-32(24,25)26/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H2,24,25,26)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
InChIKeyGXTIEXDFEKYVGY-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)C[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
ACDLabs 10.04O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
FormulaC11 H18 N5 O13 P3
NamePHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
ChEMBLCHEMBL1232908
DrugBankDB03532
ZINCZINC000016051609
PDB chain8z90 Chain B Residue 801 [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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PDB8z90 Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses
Resolution2.87 Å
Binding residue
(original residue number in PDB)		K231 R241 D301 Q302 K304 F305 N306 G394 D422 K458
Binding residue
(residue number reindexed from 1)		K231 R241 D301 Q302 K304 F305 N306 G394 D422 K458
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003968 RNA-dependent RNA polymerase activity
GO:0034062 5'-3' RNA polymerase activity
Biological Process
GO:0001172 RNA-templated transcription

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8z90, PDBe:8z90, PDBj:8z90
PDBsum8z90
PubMed38816392
UniProtO41353|RDRP_THOGV RNA-directed RNA polymerase catalytic subunit (Gene Name=Segment)

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