Structure of PDB 8glu Chain G Binding Site BS01

Receptor Information
>8glu Chain G (length=402) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GATRIQAVYRDTGVEAYRDNPFIEALPPLQESVNSAASLKSSLQLTSSDL
QKSRVIRAHTICRIPDDYFQPLGTHLLLSERISVMIRGGYVGRNPKTGDL
QKHLQNGYERVQTGELETFRFEEARSTAQSLLLIGCSGSGKTTSLHRILA
TYPQVIYHRELNVEQVVYLKIDCSHNGSLKEICLNFFRALDRALGSNYER
RYGLKRHGIETMLALMSQIANAHALGLLVIDEIQHLSRSRSGGSQEMLNF
FVTMVNIIGVPVMLIGTPKAREIFEADLRSARRGAGFGAIFWDPIQQTQR
GKPNQEWIAFTDNLWQLQLLQRKDALLSDEVRDVWYELSQGVMDIVVKLF
VLAQLRALALGNERITAGLLRQVYQDELKPVHPMLEALRSGIPERIARYS
DL
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 chain8glu Chain G 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)		S138 G139 S140 G141 K142 T143 T144 F311 M344 D345
Binding residue
(residue number reindexed from 1)		S137 G138 S139 G140 K141 T142 T143 F310 M343 D344
Annotation score4
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
Biological Process
GO:0006310 DNA recombination
GO:0032196 transposition

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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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