Data · dataset · 2026
Raw Data related to Koeppl et al.: S-Adenosyl-L-homocysteine Hydrolase Side Reactivity Enables Biocatalytic Access to 4',5'-Dehydro Nucleosides as Nucleoside Drug Precursors
Listed in DaRUS
Raw HPLC, LC-MS/MS and NMR data underlying the figures of the associated publication on the side reactivity of S-adenosyl-L-homocysteine hydrolases (SAHHs) and S-inosyl-L-homocysteine hydrolases (SIHHs).
Description
File names indicate the figure the data belong to. Raw_Data_Koeppl.xlsx HPLC chromatograms and mass spectra csv_files/ the individual sheets of the Excel file as .csv LC-MS_MS/ LC-MS/MS runs (.mzML) NMR/ NMR raw data (Bruker) Raw_Data_Koeppl.xlsx HPLC chromatograms (Figures 2b, 3b and Supplementary Figures S4–S9, S26–S32) and mass spectra (Figure 4 and Supplementary Figure S33), one per sheet.
The sheet ___SI___ separates main-text from supplementary figures. csv_files/ All sheets of Raw_Data_Koeppl.xlsx exported as individual .csv files; file names match the sheet names. LC-MS_MS/ LC-MS/MS runs underlying Figure 4 and Supplementary Figure S33 in .mzML format. NMR/ Bruker raw data underlying Figure 5 and Supplementary Figures S10–S25, with one folder per compound (13C1_Ado, 13C1_4.5dhAdo, Ino, 4.5dhIno) and one subfolder per experiment (1H, 13C, HSQC, HHCosy).
Read the rest (3 more)
The 1D experiments contain fid, acqus and procs, the 2D experiments ser, acqus, acqu2s, procs and proc2s. File naming File names follow <Figure>_<Sample>, e.g. FigS27B_Hyp_Water_HCl = Supplementary Figure S27, panel B. Enzymes: Mm = SAHH from Mus musculus, Pfu = SIHH from Pyrococcus furiosus, HSMT = homocysteine S-methyltransferase; wt = wild type, point mutants named explicitly (K186A, C195W, K183A, C221W). Nucleosides: Ado adenosine, Ino inosine, Guo guanosine, Urd uridine, Cyd cytidine, dThd thymidine, 2dAdo 2′-deoxyadenosine, Sinef. sinefungin.
Nucleobases: Ade adenine, Hyp hypoxanthine, Gua guanine, Ura uracil. Substrates: SAH S-adenosyl-L-homocysteine, SIH S-inosyl-L-homocysteine. Assay: Synth / Cleav = synthesis or cleavage direction, Gold / mtn = Expression strain used for protein production.
Either E. coliBL21-Gold(DE3) or E. coli(DE3) missing the MTAN (mtn) gene, trailing _1, _2, _3 = replicates.
Links
Where it is published
- Dataverse dataset page darus.uni-stuttgart.de/dataset.xhtml?persistentId=doi%3A10.18419%2FDARUS-6397 ↗
landing page · from darus uni stuttgart de
- DOI doi.org/10.18419/darus-6397 ↗
DOI / persistent id · from darus uni stuttgart de
Catalogue records · 1
- Dataverse API darus.uni-stuttgart.de/api/datasets/:persistentId/?persistentId=doi%3A10.18419%2FDARU… ↗
metadata API · from darus uni stuttgart de
Topics
- Stated by source
- Chemistry · Medicine, Health and Life Sciences
- From keywords
- Chemistry · Life Sciences · Medicine & Health · Physics
- Inferred from text
- Mass spectrometry 65% · Organic chemistry 72%
Provenance · 1 source records, 14 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DaRUS | doi:10.18419/DARUS-6397 | 9 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:3405 | enrichment · darus uni stuttgart de | taxonomy-embedding@1.1.0 | title+keywords+description (72%) |
| concepts[field].dataverse_subject:chemistry | source · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 | /subjects |
| concepts[field].dataverse_subject:medicine-health-and-life-sciences | source · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | mapping · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 | /subjects |
| concepts[field].local:field:life-sciences | mapping · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 | /subjects |
| concepts[field].local:field:medicine-health | mapping · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 | /subjects |
| concepts[field].local:field:physics | mapping · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 | /subjects |
| concepts[modality].local:modality:mass-spectrometry | enrichment · darus uni stuttgart de | keyword-concept-rules@1.0.0 | title+description (65%) |
| created_date | source · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 | |
| description | source · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 | /description |
| publication_date | source · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 | |
| title | source · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 | /name |
| updated_date | source · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 | |
| version_label | source · darus uni stuttgart de | connector:darus_uni_stuttgart_de@1.0.0 |