Back

Open Dataset XSMYUV7S

Gold nanoparticle PARP1 PEITHO assay

Abstract

We utilize SAXS of gold nanoparticles (AuNP) conjugated with DNA to screen for PARP1 allostery during DNA break binding, using the novel PEITHO compound library. Publication pending.

Experimental description

HT SAXS of DNA-conjugated gold nanoparticles + PARP1 or truncated PARP1 protein + small molecules, including PARP1 inhibitors, PEITHO compounds, and NAD+

File description

Refer to the Supplemental Data file XSMYUV7S.csv for sample details of each dataset file

Created

2025-04-15

Published

2025-04-16

Data collection technique

HT-SAXS

Journal DOI

Source

Advanced Light Source

Beamline

SIBYLS BL12.3.1

Wavelength

Sample to Detector Distance

Submitting Author

Joshua Del Mundo

Lawrence Berkeley National Laboratory, The SIBYLS Beamline

United States of America

[email protected]

Collaborators

Project Leader

Greg Hura

[email protected]


Data Download Terms:

The data available for download is free to use, however by clicking a download link, it signifies that you agree to our Terms of Service and Privacy Policy.

Complete Set of SAS Data Files

The complete SAS dataset is downloadable as a zip file.

Individual SAS Data Files (Total: 0)

These are individual SAS data files that may be raw or processed (merged, etc.). These may or not be included in a zip file containing a larger dataset.

Supplemental Data and Supporting Materials (Total: 1)

These data and materials may include X-ray crystal structure coordinates, multi-angle light scattering data, .etc. It may also include additional details or methods pertaining to the SAXS experiments, or the researcher's interpretations of the results.

Open SAXS data analysis sites in a new tab using these links

SAXS Similarity SAXS FrameSlice

Samples:

  • Macromolecule 1: dsDNA-AuNP
    • Sample Full Name: double stranded DNA gold nanoparticles
    • Sample Type: Nanoparticle
    • Source Organism:
    • Source Organism NCBI Taxonomy ID:
    • Expression System:
    • Expression NCBI Taxonomy ID:
    • Uniprot ID's:
    • Sequence or Chemical Formula:
    • 5’-(AuNP)-TrT-GCC TTC ATA TCT GGA GTG CTT ATT CCT ATC G-3’ 3’-CGG AAG TAT AGA CCT CAC GAA TAA GGA TAG C-TrT-(AuNP)-5’
  • Macromolecule 2: SSB-AuNP
    • Sample Full Name: single strand break DNA gold nanoparticles
    • Sample Type: Nanoparticle
    • Source Organism:
    • Source Organism NCBI Taxonomy ID:
    • Expression System:
    • Expression NCBI Taxonomy ID:
    • Uniprot ID's:
    • Sequence or Chemical Formula:
    • 5’-(AuNP)-TrT-GCC TTC ATA TCT GGA GTG CTT ATT CCT ATC G-3’ 3’-CGG AAG TAT AGA CCT C*AC GAA TAA GGA TAG C-TrT-(AuNP)-5’
  • Macromolecule 3: PARP1
    • Sample Full Name: poly(ADP-ribose) polymerase 1
    • Sample Type: Protein
    • Source Organism: Homo sapiens
    • Source Organism NCBI Taxonomy ID:
    • Expression System: E coli
    • Expression NCBI Taxonomy ID:
    • Uniprot ID's:
    • Sequence or Chemical Formula:
    • MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQDGIGSKAEKTLGDFAAEYAKSNRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQLKGFSLLATEDKEALKKQLPGVKSEGKRKGDEVDGVDEVAKKKSKKEKDKDSKLEKALKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADGMVFGALLPCEECSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPKEFREISYLKKLKVKKQDRIFPPETSASVAATPPPSTASAPAAVNSSASADKPLSNMKILTLGKLSRNKDEVKAMIEKLGGKLTGTANKASLCISTKKEVEKMNKKMEEVKEANIRVVSEDFLQDVSASTKSLQELFLAHILSPWGAEVKAEPVEVVAPRGKSGAALSKKSKGQVKEEGINKSEKRMKLTLKGGAAVDPDSGLEHSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLEDDKENRYWIFRSWGRVGTVIGSNKLEQMPSKEDAIEHFMKLYEEKTGNAWHSKNFTKYPKKFYPLEIDYGQDEEAVKKLTVNPGTKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKTSLW
  • Macromolecule 4: ΔART
    • Sample Full Name: ΔART construct of poly(ADP-ribose) polymerase 1
    • Sample Type: Protein
    • Source Organism: Homo sapiens
    • Source Organism NCBI Taxonomy ID:
    • Expression System: E coli
    • Expression NCBI Taxonomy ID:
    • Uniprot ID's:
    • Sequence or Chemical Formula:
    • SDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQDGIGSKAEKTLGDFAAEYAKSNRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQLKGFSLLATEDKEALKKQLPGVKSEGKRKGDEVDGVDEVAKKKSKKEKDKDSKLEKALKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADGMVFGALLPCEECSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPKEFREISYLKKLKVKKQDRIFPPETSASVAATPPPSTASAPAAVNSSASADKPLSNMKILTLGKLSRNKDEVKAMIEKLGGKLTGTANKASLCISTKKEVEKMNKKMEEVKEANIRVVSEDFLQDVSASTKSLQELFLAHILSPWGAEVKAEPVEVVAPRGKSGAALSKKSKGQVKEEGINKSEKRMKLTLKGGAAVDPDSGLEHSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLEDDKENRYWIFRSWGRVGTVIGSNKLEQMPSKEDAIEHFMKLYEEKTGNAWHSKNFTKYPKKFYPLEIDYGQDEEAVKKLTVNPGTKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKTSLW
  • Macromolecule 5: Zn1-Zn2
    • Sample Full Name: Zn1-Zn2 construct of poly(ADP-ribose) polymerase 1
    • Sample Type: Protein
    • Source Organism: Homo sapiens
    • Source Organism NCBI Taxonomy ID:
    • Expression System: E coli
    • Expression NCBI Taxonomy ID:
    • Uniprot ID's:
    • Sequence or Chemical Formula:
    • SDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQDGIGSKAEKTLGDFAAEYAKSNRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQLKGFSLLATEDKEALKKQLPGVKSEGKRKGDEVDGVDEVAKKKSKKEKDKDSKLEKALKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADGMVFGALLPCEECSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPKEFREISYLKKLKVKKQDRIF
  • Macromolecule 6: Zn1
    • Sample Full Name: Zn1 construct of poly(ADP-ribose) polymerase 1
    • Sample Type: Protein
    • Source Organism: Homo sapiens
    • Source Organism NCBI Taxonomy ID:
    • Expression System: E coli
    • Expression NCBI Taxonomy ID:
    • Uniprot ID's:
    • Sequence or Chemical Formula:
    • SDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQ
  • Macromolecule 7: Zn2
    • Sample Full Name: Zn2 construct of poly(ADP-ribose) polymerase 1
    • Sample Type: Protein
    • Source Organism: Homo sapiens
    • Source Organism NCBI Taxonomy ID:
    • Expression System: E coli
    • Expression NCBI Taxonomy ID:
    • Uniprot ID's:
    • Sequence or Chemical Formula:
    • QLGMIDRWYHPGCFVKNREELGFRPEYSASQLKGFSLLATEDKEALKKQLPGVKSEGKRKGDEVDGVDEVAKKKSKKEKDKDSKLEKALKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADGMVFGALLPCEECSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPKEFREISYLKKLKVKKQDRIF