7-Deazaguanines in DNA: functional and structural elucidation of a DNA modification system.

Gedara SH, Wood E, Gustafson A, Liang C, Hung SH, Savage J, Phan P, Luthra A, de Crécy-Lagard V, Dedon P, Swairjo MA, Iwata-Reuyl D
Nucleic Acids Res (2023 Mar 17)
PMID: 36928176
doi: 10.1093/nar/gkad141
Submitted to SASBDB: 2022 Dec 24
Published in SASBDB:

SASDQ59 – Mutant 7-deazapurine in DNA protein A (D95A)

DNA-guanine transglycosylase - D95A mutant experimental SAS data
GROMACS model
Sample: DNA-guanine transglycosylase - D95A mutant monomer, 50 kDa Salmonella enterica subsp. … protein
Buffer: 100 mM KCl, 50 mM Tris pH 7.0, 1 mM DTT, pH: 7
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2021 Dec 22
RgGuinier 2.7 nm
Dmax 10.1 nm
VolumePorod 67 nm3

SASDQ89 – 7-deazapurine in DNA protein B

DGQHR domain-containing protein experimental SAS data
ALPHAFOLD model
Sample: DGQHR domain-containing protein dimer, 88 kDa Salmonella enterica subsp. … protein
Buffer: 100 mM KCl, 50 mM Tris pH 7.0, 1 mM DTT, pH: 7
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2021 Dec 22
RgGuinier 3.4 nm
Dmax 13.5 nm
VolumePorod 126 nm3

SASDQ79 – Mutant 7-deazapurine in DNA protein A (D95A) bound to a 28 base pair DNA substrate (2-state model: complex plus free DNA)

Custom 28 base pair double stranded DNADNA-guanine transglycosylase - D95A mutant experimental SAS data
GROMACS model
Sample: Custom 28 base pair double stranded DNA monomer, 17 kDa Synthetic, purchased from … DNA
DNA-guanine transglycosylase - D95A mutant monomer, 50 kDa Salmonella enterica subsp. … protein
Buffer: 100 mM KCl, 50 mM Tris pH 7.0, 1 mM DTT, pH: 7
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2021 Dec 22
RgGuinier 3.4 nm
Dmax 13.5 nm
VolumePorod 104 nm3

SASDQ69 – 28 base pair DNA substrate (used in experiments with 7-deazapurine in DNA proteins)

Custom 28 base pair double stranded DNA experimental SAS data
GROMACS model
Sample: Custom 28 base pair double stranded DNA monomer, 17 kDa Synthetic, purchased from … DNA
Buffer: 100 mM KCl, 50 mM Tris pH 7.0, 1 mM DTT, pH: 7
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2021 Dec 22
RgGuinier 2.6 nm
Dmax 10.2 nm
VolumePorod 24 nm3