Structure of PDB 8glx Chain E Binding Site BS01

Receptor Information
>8glx Chain E (length=478) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATRIQAVYRDTGVEAYRDNPFIEALPPLQESVNSAASLKSSLQLTSSDLQ
KSRVIRAHTICRIPDDYFQPLGTHLLLSERISVMIRGGYVGRNPKTGDLQ
KHLQNGYERVQTGELETFRFEEQSLLLIGCSGSGKTTSLHRILATYPQVI
YHRELNVEQVVYLKIDCSHNGSLKEICLNFFRALDRALGSNYERRYGLKR
HGIETMLALMSQIANAHALGLLVIDEIQHLSRSRSGGSQEMLNFFVTMVN
IIGVPVMLIGTPKAREIFEADLRSARRGAGFGAIFWDPIQQTQRGKPNQE
WIAFTDNLWQLQLLQRKDALLSDEVRDVWYELSQGVMDIVVKLFVLAQLR
ALALGNERITAGLLRQVYQDELKPVHPMLEALRSGIPERIARYSDLVVPE
IDKRLIQLQLDIAAIQEQTPEEKALQELDTEDQRHLYLMLKEDYDSSLLI
PTIKKAFSQNPTMTRQKLLPLVLQWLME
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 chain8glx 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8glx Assembly of the Tn7 targeting complex by a regulated stepwise process.
Resolution3.88 Å
Binding residue
(original residue number in PDB)		P66 Y69 F70 Q71 S138 G139 G141 T143 T144 M344
Binding residue
(residue number reindexed from 1)		P64 Y67 F68 Q69 S131 G132 G134 T136 T137 M337
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
View graph for
Biological Process
External links
PDB RCSB:8glx, PDBe:8glx, PDBj:8glx
PDBsum8glx
PubMed38834067
UniProtP05846|TNSC_ECOLX Transposon Tn7 transposition protein TnsC (Gene Name=tnsC)

[Back to BioLiP]