Published June 11, 2024 | Version v1
Dataset Open

Raw data to: Acetyl-CoA synthetase activity is enzymatically regulated by lysine acetylation using acetyl-CoA or acetyl-phosphate as donor molecule

Authors/Creators

  • 1. University of Greifswald

Contributors

Data collector:

  • 1. University of Greifswald

Description

Initial configuration (PDB) and TIGER2hPE ensemble of all four simulations (R1-4) reported in this study in DCD trajectory format:

  1. AcuA + AcsA + Acetyl-CoA
  2. Acua + AcsA + Acetyl-CoA (AcuA:K549 deprotonated)
  3. AcuA + AcsA + CoA + AcP (Acetyl-Phosphate)
  4. AcuA + AcsA + Desulfo-CoA

 

Files

Files (24.2 GB)

Name Size
md5:6f8b35815187a523b52ef95bd72f64d7
6.6 GB Download
md5:67f08447071670875689a4957298a706
986.8 kB Download
md5:c66aca418661a1cb6ceeee88b0e8263d
8.1 GB Download
md5:aedd6eea7b3d59c0823d9071ff5b9686
986.7 kB Download
md5:6043816285283de4ba968d261f9bdc05
5.3 GB Download
md5:1890b12fc6155bc1b63b4d516b40431d
987.3 kB Download
md5:cdb96dd421158af0ab3b22f205bcb8fb
4.2 GB Download
md5:79714710c8958865811c40a136b210fb
986.3 kB Download

Additional details

Related works

Is supplement to
Publication: 10.1038/s41467-024-49952-0 (DOI)

Software

Repository URL
https://github.com/SLx64/TIGER2hs
Programming language
Tcl , Shell , Python
Development Status
Active