Structure of PDB 7yed Chain K Binding Site BS03

Receptor Information
>7yed Chain K (length=1288) Species: 538123 (Mammalian orthoreovirus 3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANVWGVRLADSLSSPTIETRTRHYTLHDFYSDLDASVGKEPWRPLRNQRT
NEIVAVQLFRPLQGLVFDTQLYGFPGTFSQWEQFMKEKLRVLKYEVLRIY
PISTYNHDRVNVFVANALVGAFLSNQAFYDLLPLLIVNDTMISDLLGTGA
ALSQFFQSHGEVLEVAAGRKYLQMNNYSNDDDDPPLFAKDLSDYAKAFYS
DTYEVLDRFFWTHDSSAGVLVHYDKPTNGNHYILGTLTQMVSAPPHIINA
TDALLLESCLEQFAANVRARSAQPVTRLDQCYHLRWGAQYVGEDSLTYRL
GVLSLLATNGYQLARPIPKQLTNRWLSSFVSQVVSDGINETPLWPQERYV
QIAYDSPSVVDGATQYGYVRRNQLRLGMRISALQSLSDTPAPVQWLPQYT
IDQVAVDEGDAMVSQLTQLPLRPDYGSIWIGEALSYYVDYNRSHRVVLSS
ELPQLPDTYFDGDEQYGRSLFSLARKVGDRSLVKDTAVLKHAYQAIDPNT
GKEYLRAGQSVAYFGASAGHSGADQPLVIEPWMQGKISGVPPPSSVRQFG
YDVAKGAIVDLARPFPSGDYQFVYSDVDQVVDGHDDLSISSGLVESLLDS
CVHATAPGGSFVMKINFPTRTVWHYIEQKILPNVTSYMLIKPFVTNNVEV
FFVAFGVHQQSALTWTSGVYFFLVDHFYRYETLSAISRQLPSFGYVDDGS
SVTGIEIISIENPGFSNMTQAARVGISGLCANVGNARKSIAIYESHGARV
LTITSRRSPASARRKARLRYLPLIDPRSLEVQARTILPSNPVLFDNINGA
SPHVCLTMMYNFEVSSAVYDGDVVLDLGTGPEAKILELIPSTSPVTCVDI
RPTAQPNGCWNVRTTFLELDYLSDGWITGVRGDIVTCMLSLGAAAAGKSM
TFDAAFQQLVRVLTRSTANVLLIQVNCPTDVIRTIKGYLEIDQTNKRYKF
PKFGRDEPYSDMDSLERICRAAWPNCSITWVPLSYDLRWTKLALLESTTL
SSASVRIAELMYKYMPIMRIDIHGLPMEKQGNFIVGQNCSLVIPGFNAQD
VFNCYFNSALAFSTEDVNSAMIPQVTAQFDANKGEWSLDMVFSDAGIYTM
QALVGSNANPVSLGSFVVDSPDVDITDAWPAQLDFTIAGTDVDITVNPYY
RLMAFVKIDGQWQIANPDKFQFFSSNTGTLVMNVKLDIADRYLLYYIRDV
QSRDVGFYIQHPLQLLNTITLPTNEDLFLSAPDMREWAVKESGNTICILN
SPGFIPPQDWDVLTDTISWSPSLPTYVVPPGDYTLTPL
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain7yed Chain K Residue 1303 [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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PDB7yed In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		N117 K171 Y195 T228 H232
Binding residue
(residue number reindexed from 1)		N116 K170 Y194 T227 H231
Annotation score4
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
2.7.7.50: mRNA guanylyltransferase.
Gene Ontology
Molecular Function
GO:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
GO:0004484 mRNA guanylyltransferase activity
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0008168 methyltransferase activity
Biological Process
GO:0006370 7-methylguanosine mRNA capping
GO:0032259 methylation
GO:0106005 RNA 5'-cap (guanine-N7)-methylation
Cellular Component
GO:0019028 viral capsid
GO:0039624 viral outer capsid

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7yed, PDBe:7yed, PDBj:7yed
PDBsum7yed
PubMed36469786
UniProtC9E871

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