Structure of PDB 8dgc Chain H Binding Site BS01

Receptor Information
>8dgc Chain H (length=538) Species: 2744002 (Escherichia phage PhiV-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQSQEAKNALIIAQLKGDFVAFLFVLWKALNLPKPTKCQIDMARTLANGD
HKKFILQAFRGIGKSFITCAFVVWVLWRDPQLKVLIVSASKERADANSIF
IKNIIDLLPFLSELKPRPGQRDSVISFDVGLAKPDHSPSVKSVGITGQLT
GSRADIIIADDVEVPGNSSTSSAREKLWTLVTEFAALLKPLPTSRVIYLG
TPQTEMTLYKELEDNKGYSTVIWPAQYPRNDAEALYYGDRLAPMLKAEYD
EGFELLRGQPTDPVRFDMDDLRERELEYGKAGYTLQFMLNPNLSDAEKYP
LRLRDAIVCAVDPERAPLSYQWLPNRQNRNEELPNVGLKGDDIHAFHTCS
SRTAEYQSKILVIDPSGRGKDETGYAVLYSLNGYIYLMEVGGFRGGYDDA
TLEKLAKKAKQWKVQTVVHESNFGDGMFGKIFSPILLKHHKCALEEIRAK
GMKEMRICDTIEPLMGAHKLVIRDEVIREDYQTARDLDGKHDVRYSAFYQ
MTRMTRERGAVAHDDRIDAIALGIEYLREGMLVDSRVG
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 chain8dgc Chain H Residue 601 [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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PDB8dgc Prokaryotic innate immunity through pattern recognition of conserved viral proteins.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		W28 P34 R61 G62 G64 K65 S66 F67 R266
Binding residue
(residue number reindexed from 1)		W27 P33 R60 G61 G63 K64 S65 F66 R265
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.21.-
3.6.4.-
Gene Ontology
Molecular Function
GO:0004519 endonuclease activity
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0019073 viral DNA genome packaging
GO:0051276 chromosome organization
Cellular Component
GO:0098009 viral terminase, large subunit

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8dgc, PDBe:8dgc, PDBj:8dgc
PDBsum8dgc
PubMed35951700
UniProtA0A7G3WWS0

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