Structure of PDB 1n38 Chain A Binding Site BS06

Receptor Information
>1n38 Chain A (length=1264) Species: 10886 (Mammalian orthoreovirus 3 Dearing) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSMILTQFGPFIESISGITDQSNDVFEDAAKAFSMFTRSDVYKALDEIPF
SDDAMLPIPPTIYTKPSHDSYYYIDALNRVRRKTYQGPDDVYVPNCSIVE
LLEPHETLTSYGRLSEAIENRAKDGDSQARIATTYGRIAESQARQIKAPL
EKFVLALLVAEAGGSLYDPVLQKYDEIPDLSHNCPLWCFREICRHISGPL
PDRAPYLYLSAGVFWLMSPRMTSAIPPLLSDLVNLAILQQTAGLDPSLVK
LGVQICLHAAASSSYSWFILKTKSIFPQNTLHSMYESLEGGYCPNLEWLE
PRSDYKFMYMGVMPLSAKYARSAPSNDKKARELGEKYGLSSVVGELRKRT
KTYVKHDFASVRYIRDAMACTSGIFLVRTPTETVLQEYTQSPEIKVPIPQ
KDWTGPIGEIRILKDTTSSIARYLYRTWYLAAARMAAQPRTWDPLFQAIM
RSQYVTARGGSGAALRESLYAINVSLPDFKGLPVKAATKIFQAAQLANLP
FSHTSVAILADTSMGLRNQVQRRPRSIMPLNVPQQQVSAPHTLTADYINY
HMNLSPTSGSAVIEKVIPLGVYASSPPNQSINIDISACDASITWDFFLSV
IMAAIHEGVASSSIGKPFMGVPASIVNDESVVGVRAARPISGMQNMIQHL
SKLYKRGFSYRVNDSFSPGNDFTHMTTTFPSGSTATSTEHTANNSTMMET
FLTVWGPEHTDDPDVLRLMKSLTIQRNYVCQGDDGLMIIDGTTAGKVNSE
TIQNDLELISKYGEEFGWKYDIAYDGTAEYLKLYFIFGCRIPNLSRHPIV
GKERANSSAEEPWPAILDQIMGVFFNGVHDGLQWQRWIRYSWALCCAFSR
QRTMIGESVGYLQYPMWSFVYWGLPLVKAFGSDPWIFSWYMPTGDLGMYS
WISLIRPLMTRWMVANGYVTDRCSTVFGNADYRRCFNELKLYQGYYMAQL
PRNPKKSGRAASREVREQFTQALSDYLMQNPELKSRVLRGRSEWEKYGAG
IIHNPPSLFDVPHKWYQGAQEAAIATREELAEMDETLMRARRHSYSSFSK
LLEAYLLVKWRMCEAREPSVDLRLPLCAGIDPLNSDPFLKMVSVGPMLQS
TRKYFAQTLFMAKTVSGLDVNAIDSALLRLRTLGADKKALTAQLLMVGLQ
ESEADALAGKIMLQDVNTVQLARVVNLAVPDTWMSLDFDSMFKHHVKLLP
KDGRHLNTDIPPRMGWLRAILRFLGAGMVMTATGVAVDIYLEDIHGGGRS
LGQRFMTWMRQEGR
Ligand information
Ligand IDCH1
InChIInChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyCHKFLBOLYREYDO-SHYZEUOFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)C[C@H]2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[CH]2O
OpenEye OEToolkits 1.5.0C1C(OC(C1O)N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2
FormulaC9 H16 N3 O13 P3
Name3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL480328
DrugBank
ZINCZINC000031440313
PDB chain1n38 Chain A Residue 1294 [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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PDB1n38 RNA Synthesis in a Cage--Structural Studies of Reovirus Polymerase [lambda] 3
Resolution2.8 Å
Binding residue
(original residue number in PDB)		K32 S35 M36 R851 Y862
Binding residue
(residue number reindexed from 1)		K31 S34 M35 R850 Y861
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003723 RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
GO:0016787 hydrolase activity
GO:0034062 5'-3' 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
GO:0019028 viral capsid

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1n38, PDBe:1n38, PDBj:1n38
PDBsum1n38
PubMed12464184
UniProtP0CK31|RDRP_REOVD RNA-directed RNA polymerase lambda-3 (Gene Name=L1)

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