Structure of PDB 7orn Chain A Binding Site BS03

Receptor Information
>7orn Chain A (length=1700) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDYQEYQQFLARINTARDACVAKDIDVDLLMARKDYFGRELCKSLNIEYR
NDVPFIDIILDIRPEVDPLTIDAPHITPDNYLYINNVLYIIDYKVSVSNE
SSVITYDKYYELTRDISDRLSIPIEIVIIRIDPVSRDLHINSDRFKELYP
TIVVDINFNQFFDLKQLLYEKFGDDEEFLLKVAHGDFTLTAPWCKTGCPE
FWKHPIYKEFKMSMPVPERRLFEESVKFNAYESERWNTNLVKIREYTKKD
YSEHISKSAKNIFLASGFYKQPNKNEISEGWTLMVERVQDQREISKSLHD
QKPSIHFIWGAHNPGNSNNATFKLILLSKSLQSIKGISTYTEAFKSLGKM
MDIGDKAIEYEEFCMSLKSKLEPKQINNALVLWEQQFMINNDLIDKSEKL
KLFKNFCGIGKHKQFKNKMLEDLEVSKPKILDFDDANMYLASLTMMEQSK
KILSKSNGLKPDNFILNEFGSRIKDANKETYDNMHKIFETGYWQCISDFS
TLMKNILSVSQYNRHNTFRIAMCANNNVFAIVFPSADIKTKKATVVYSII
VLHKEEENIFNPGCLHGTFKCMNGYISISRAIRLDKERCQRIVSSPGLFL
TTCLLFKHDNPTLVMSDIMNFSIYTSLSITKSVLSLTEPARYMIMNSLAI
SSNVKDYIAEKFSPYTKTLFSVYMTRLIKNACFDAYDQRQRVQLRDIYLS
DYDITQKGIKDNRELTSIWFPGSVTLKEYLTQIYLPFYFNAKGLHEKHHV
MVDLAKTILEIECEQRENIKEIWSTNCTKQTVNLKILIHSLCKNLLADTS
RHNHLRNRIENRNNFRRSITTISTFTSSKSCLKIGDFRKEKELRKMRLAN
PMFVTDEQVCLEVGHCNYEMLRNAMPNYTDYISTKVFDRLYELLDKKVLT
DKPVIEQIMDMMIDHKKFYFTFFNKGQKTSKDREIFVGEYEAKMCMYAVE
RIAKERCKLNPDEMISEPGDGKLKVLEQKSEQEIRFLVETTRQKNREIGK
AKGLKMEINADMSKWSAQDVFYKYFWLIALDPILYPQEKERILYFMCNYM
DKELILPDELLFNLLDQKVAYQNDIIATMTNQLNSNTVLIKRNWLQGNFN
YTSSYVHSCAMSVYKEILKEAITLLDGSILVNSLVHSDDNQTSITIVQDK
MENDKIIDFAMKEFERACLTFGCQANMKKTYVTNCIKEFVSLFNLYGEPF
SIYGRFLLTSVGDCAYIGPYEDLASRISSAQTAIKHGCPPSLAWVSIAIS
HWMTSLTYNMLPGQSNDPIDYFPAENRKDIPIELNGVLDAPLSMISTVGL
ESGNLYFLIKLLSKYTPVMQKRESVVNQIAEVKNWKVEDLTDNEIFRLKI
LRYLVLDAEMDPSDIMGETSDMRGRSILTPRKFTTAGSLRKLYSFSKYQD
RLSSPGGMVELFTYLLEKPELLVTKGEDMKDYMESVIFRYNSKRFKESLS
IQNPAQLFIEQILFSHKPVIDFSGIRDKKEPDILGKVTFTEAYRLLMRDL
SSLELTNDDIQVIYSYIILNDPMMITIANTHILSIYGSPQRRMGMSCSTM
PEFRNLKLIHHSPALVLRAYSKNNPDIQGADPTEMARDLVHLKEFVENTN
LEEKMKVRIAMNEAEKGQRDIVFELKEMTRFYQVCYEYVKSTEHKIKVFI
LPAKSYTTTDFCSLMQGNLIKDKEWYTVHYLKQILEGEAIHSTPIFNIYY
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 chain7orn Chain A Residue 2301 [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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PDB7orn Structural snapshots of La Crosse virus polymerase reveal the mechanisms underlying Peribunyaviridae replication and transcription.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R958 D1060 M1061 K1063 W1064 W1143 Q1145 G1146 D1187 N1225
Binding residue
(residue number reindexed from 1)		R933 D1011 M1012 K1014 W1015 W1094 Q1096 G1097 D1138 N1176
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:7orn, PDBe:7orn, PDBj:7orn
PDBsum7orn
PubMed35173159
UniProtA5HC98|L_BUNLC RNA-directed RNA polymerase L (Gene Name=L)

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