Structure of PDB 8vct Chain C Binding Site BS02

Receptor Information
>8vct Chain C (length=394) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATRIQAVYRDTGVEAYRDNPFIEALPPLQESVNSAASLKSSLQLTSSDLQ
KSRVIRAHTICRIPDDYFQPLGTHLLLSERISVMIRGGYVGRNPKTGDLQ
KHLQNGYERVQTGELETFRFEEARSTAQSLLLIGCSGSGKTTSLHRILAT
YPQVIYHRELNVEQVVYLKIDCSHNGSLKEICLNFFRALDRALGSNYERR
YGLKRHGIETMLALMSQIANAHALGLLVIDEIQHLSRSRSGGSQEMLNFF
VTMVNIIGVPVMLIGTPKAREIFEADFGAIFWDPIQQTQRGKPNQEWIAF
TDNLWQLQLLQRKDALLSDEVRDVWYELSQGVMDIVVKLFVLAQLRALAL
GNERITAGLLRQVYQDELKPVHPMLEALRSGIPERIARYSDLVV
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain8vct Chain C 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]
PDB8vct Assembly of the Tn7 targeting complex by a regulated stepwise process.
Resolution3.83 Å
Binding residue
(original residue number in PDB)		F70 Q71 S138 G139 S140 G141 K142 M344
Binding residue
(residue number reindexed from 1)		F68 Q69 S136 G137 S138 G139 K140 M333
Annotation score1
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:8vct, PDBe:8vct, PDBj:8vct
PDBsum8vct
PubMed38834067
UniProtP05846|TNSC_ECOLX Transposon Tn7 transposition protein TnsC (Gene Name=tnsC)

[Back to BioLiP]