Structure of PDB 7orj Chain A Binding Site BS05

Receptor Information
>7orj Chain A (length=2129) Species: 11577 (La Crosse virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDYQEYQQFLARINTARDACVAKDIDVDLLMARKDYFGRELCKSLNIEYR
NDVPFIDIILDIRPEVDPLTIDAPHITPDNYLYINNVLYIIDYKVSVSNE
SSVITYDKYYELTRDISDRLSIPIEIVIIRIDPVSRDLHINSDRFKELYP
TIVVDINFNQFFDLKQLLYEKFGDDEEFLLKVAHGDFTLTAPWCKTGCPE
FWKHPIYKEFKMSMPVPERRLFEESVKFNAYESERWNTNLVKIREYTKKD
YSEHISKSAKNIFLASGFYKQPNKNEISEGWTLMVERVQDQREISKSLHD
QKPSIHFIWGAHNPGNSNNATFKLILLSKSLQSIKGISTYTEAFKSLGKM
MDIGDKAIEYEEFCMSLKSKALEPKQINNALVLWEQQFMINNDLIDKSEK
LKLFKNFCGIGKHVSKPKILDFDDANMYLASLTMMEQSKKILSKSNGLKP
DNFILNEFGSRIKDANKETYDNMHKIFETGYWQCISDFSTLMKNILSVSQ
YNRHNTFRIAMCANNNVFAIVFPSADIKTKKATVVYSIIVLHKEEENIFN
PGCLHGTFKCMNGYISISRAIRLDKERCQRIVSSPGLFLTTCLLFKHDNP
TLVMSDIMNFSIYTSLSITKSVLSLTEPARYMIMNSLAISSNVKDYIAEK
FSPYTKTLFSVYMTRLIKNACFDAYDQRQRVQLRDIYLSDYDITQKGIKD
NRELTSIWFPGSVTLKEYLTQIYLPFYFNAKGLHEKHHVMVDLAKTILEI
ECEQRENIKEIWSTNCTKQTVNLKILIHSLCKNLLADTSRHNHLRNRIEN
RNNFRRSITTISTFTSSKSCLKIGDFRKEMLRNAMPNYTDYISTKVFDRL
YELLDKKVLTDKPVIEQIMDMMIDHKKFYFTFFNKGQKTSKDREIFVGEY
EAKMCMYAVERIAKERCKLNPDEMISEPGDGKLKVLEQKSEQEIRFLVET
TRQKNREIDEAIEALATLGKIEKLSLGKAKGLKMEINADMSKWSAQDVFY
KYFWLIALDPILYPQEKERILYFMCNYMDKELILPDELLFNLLDQKVAYQ
NDIIATMTNQLNSNTVLIKRNWLQGNFNYTSSYVHSCAMSVYKEILKEAI
TLLDGSILVNSLVHSDDNQTSITIVQDKMENDKIIDFAMKEFERACLTFG
CQANMKKTYVTNCIKEFVSLFNLYGEPFSIYGRFLLTSVGDCAYIGPYED
LASRISSAQTAIKHGCPPSLAWVSIAISHWMTSLTYNMLPGQSNDPIDYF
PAENRKDIPIELNGVLDAPLSMISTVGLESGNLYFLIKLLSKYTPVMQKR
ESVVNQIAEVKNWKVEDLTDNEIFRLKILRYLVLDAEMDPSDIMGETSDM
RGRSILTPRKFTTAGSLRKLYSFSKYQDRLSSPGGMVELFTYLLEKPELL
VTKGEDMKDYMESVIFRYNSKRFKESLSIQNPAQLFIEQILFSHKPVIDF
SGIRDKKEPDILGKVTFTEAYRLLMRDLSSLELTNDDIQVIYSYIILNDP
MMITIANTHILSIYGSPQRRMGMSCSTMPEFRNLKLIHHSPALVLRAYSK
NNPDIQGADPTEMARDLVHLKEFVENTNLEEKMKVRIAMNEAEKGQRDIV
FELKEMTRFYQVCYEYVKSTEHKIKVFILPAKSYTTTDFCSLMQGNLIKD
KEWYTVHYLKQILSSEQNIAFECFKLITHFADSFIDSLSRSAFLQLIIDE
FSYKDVKVSKLYDIIKNGYNRTDFIPLLFRTGDLRQADLDKYDAMKSHER
VTWNDWQTSRHLDMGSINLTITGYNRSITIIGEDNKLTYAELCLTRKTPE
NITISGRKLLGSRHGLKFENMSKIQTYPGNYYITYRKKDRHQFVYQIHSH
ESITRRNEEHMAIIYNEITPVCVVNVAEVDGDQRILIRSLDYLNNDIFSL
SRIKVGLDEFATIKKAHFSKMVSFEGPPIKTGLLDLTELMKSQDLLNLNY
DNIRNSNLISFSKLICCEGSDNINDGLEFLSDDPMNFTEGEAIHSTPIFN
IYYSKRGERHMTYRNAIKLLIERETKIFEEAFTFSENGFISPENLGCLEA
VVSLIKLLKTNEWSTVIDKCIHICLIKNGMDHMYHSFDVPINWVMFREFI
NSLPGTDIPPWNVMTENFKKKCIALINSK
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[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
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7orj Chain A Residue 2302 [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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PDB7orj Structural snapshots of La Crosse virus polymerase reveal the mechanisms underlying Peribunyaviridae replication and transcription.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		R958 D1060 M1061 K1063 W1064 Q1145 G1146 N1149 D1187 N1225 K1228
Binding residue
(residue number reindexed from 1)		R893 D989 M990 K992 W993 Q1074 G1075 N1078 D1116 N1154 K1157
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.1.-.-
Gene Ontology
Molecular Function
GO:0003968 RNA-dependent RNA polymerase activity
Biological Process
GO:0006351 DNA-templated transcription
GO:0019079 viral genome replication
GO:0039694 viral RNA genome replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7orj, PDBe:7orj, PDBj:7orj
PDBsum7orj
PubMed35173159
UniProtA5HC98|L_BUNLC RNA-directed RNA polymerase L (Gene Name=L)

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