Structure of PDB 1n1h Chain A Binding Site BS05

Receptor Information
>1n1h 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 IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain1n1h Chain A Residue 1425 [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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PDB1n1h 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 Q852 Y862
Binding residue
(residue number reindexed from 1)		K31 S34 M35 R850 Q851 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:1n1h, PDBe:1n1h, PDBj:1n1h
PDBsum1n1h
PubMed12464184
UniProtP0CK31|RDRP_REOVD RNA-directed RNA polymerase lambda-3 (Gene Name=L1)

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