Structure of PDB 8glu Chain E Binding Site BS01

Receptor Information
>8glu Chain E (length=418) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRIQAVYRDTGVEAYRDNPFIEALPPLQESVNSAASLKSSLQLTSSDLQK
SRVIRAHTICRIPDDYFQPLGTHLLLSERISVMIRGGYVGRNPKTGDLQK
HLQNGYERVQTGELETFRFEEARSTAQSLLLIGCSGSGKTTSLHRILATY
PQVIYHRELNVEQVVYLKIDCSHNGSLKEICLNFFRALDRALGSNYERRY
GLKRHGIETMLALMSQIANAHALGLLVIDEIQHLSRSRSGGSQEMLNFFV
TMVNIIGVPVMLIGTPKAREIFEADLRSARRGAGFGAIFWDPIQQTQRGK
PNQEWIAFTDNLWQLQLLQRKDALLSDEVRDVWYELSQGVMDIVVKLFVL
AQLRALALGNERITAGLLRQVYQDELKPVHPMLEALRSGIPERIARYSDL
VVPEIDKRLIQLQLDIAA
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8glu Chain E 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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PDB8glu Assembly of the Tn7 targeting complex by a regulated stepwise process.
Resolution3.57 Å
Binding residue
(original residue number in PDB)		F70 S138 G139 G141 K142 T143 T144 E233 M344 D345
Binding residue
(residue number reindexed from 1)		F67 S135 G136 G138 K139 T140 T141 E230 M341 D342
Annotation score4
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
Biological Process
GO:0006310 DNA recombination
GO:0032196 transposition

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8glu, PDBe:8glu, PDBj:8glu
PDBsum8glu
PubMed38834067
UniProtP05846|TNSC_ECOLX Transposon Tn7 transposition protein TnsC (Gene Name=tnsC)

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