Structure of PDB 7yed Chain R Binding Site BS04

Receptor Information
>7yed Chain R (length=1254) Species: 538123 (Mammalian orthoreovirus 3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMILTQFGPFIESISGITDQSNDVFENAAKAFSMFTRSDVYKALDEIPFS
EDAMLPIPPTIYTKPSHDSYYYIDALNRVRRKTYQGPDDVYVPNCSIVEL
LEPHETLTSYGRLSEAIENRAKDGDSQARIATTYGRIAESQARQIKAPLE
KFVLALLVAEAGGSLYDPVLQKYDEIPGLSHNCPLWCFREICRHISGPLP
DRAPYLYLSAGVFWLMSPRMTSAIPPLLSDLVNLAILQQTAGLDPSLVRL
GVQICLHAAASSSYAWFILKTKSIFPQNTLHSMYESLEGGYCPNLEWLEP
RSDYKFMYMGAMPLSTKYARSAPSNDKKARELGEKYGLSSVVSELRRRTK
TYSKHDFTSVRYIRDAMACTSGIFLVRTPTETVLQEYTQSPEIKVPIPQK
DWTGPIGEIRILKDTTSSIARYLYRTWYLAAARMAAQPRTWDPLFQAIMR
SQYVTARGGSGATLRESLYAINVSLPDFKGLPVKAATKIFQAAQLANLPF
SHTSVAILADTSMGLRNQVQRRPRSIMPLNVPQQQVSAPHTLTADYINYH
MNLSTTSGSAVIEKVIPLGVYASSPPNQSINIDISACDASITWDFFLSVI
MAAIHEGVASSSIGKPFMGVPASIVNDESVVGVRAARPISGMQNMIQHLS
KLYKRGFSYRVNDSFSPGNDFTHMTTTFPSGSTATSTEHTANNSTMMETF
LTVWGPEHTDDPDVLRLMKSLTIQRNYVCQGDDGLMIIDGNTAGKVNSET
IQKMLELISKYGEEFGWKYDIAYDGTAEYLKLYFIFGCRIPNLSRHPIVG
KERANSSAEEPWPAILDQIMGIFFNGVHDGLQWQRWIRYSWALCCAFSRQ
RGYLQYPMWSFVYWGLPLVKVFGSDPWIFSWYMPTGDLGMYSWISLIRPL
MTRWMVANGYVTDKCSPVFGNADYRKCFNELKLYQGYYMAQLPRNPKKSG
RAAPREVREQFTQALSDYLMQNPELKSRVLRGRSEWEKYGAGIIHNPPSL
FDVPHKWYQGAQEAATATREELAEMDETLMRARKHSYSSFSKLLEAYLLV
KWRMCEAREPSVDLRLPLCAGIDPLNSDPFLKMVSVGPMLQSTRKYFAQT
LFMAKTVSGLDVNAIDSALLRLRTLGADKKALTAQLLMVGLQESEADALA
GKIMLQDVNTVQLARVVNLAVPDTWMSLDFDTMFKHHVKLLPKDGRHLNT
DIPPRMGWLRAILRFLGAGMAMTATGVAVDIYLEDIHGGGRSLGQRFMTW
MRQE
Ligand information
Ligand IDUTP
InChIInChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPGAVKCOVUIYSFO-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
FormulaC9 H15 N2 O15 P3
NameURIDINE 5'-TRIPHOSPHATE
ChEMBLCHEMBL336296
DrugBankDB04005
ZINCZINC000003861755
PDB chain7yed Chain R Residue 1301 [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)		R523 R526 A588 D590 S682 T687 H691 D734
Binding residue
(residue number reindexed from 1)		R521 R524 A586 D588 S680 T685 H689 D732
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
Biological Process
GO:0001172 RNA-templated transcription
GO:0019079 viral genome replication
GO:0032774 RNA biosynthetic process
Cellular Component
GO:0019013 viral nucleocapsid

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
UniProtC9E870

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