Published March 1, 2024 | Version v1
Dataset Open

DtpB 4_docked part 2/3

Authors/Creators

Description

This upload is one of the three uploads that contain 200 docked models generated by Rosetta FlexPepDock pipeline for each di- and tripeptide composed of natural amino acids docked into DtpB. For detailed information on docking and data analysis please see:

Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition

https://dx.doi.org/10.1016/j.celrep.2023.112831

https://zenodo.org/records/7586704
 
Once you have downloaded all files from the three uploads, run the following commands (make sure that you have enough storage space):

$ cat 4_docked_? > 4_docked.tar.gz
$ tar -xzf 4_docked.tar.gz ./

To clean up intermediate files, run:
rm 4_docked.tar.gz 4_docked_?

Links to all three parts:
DtpB 4_docked part 1/3
DtpB 4_docked part 2/3
DtpB 4_docked part 3/3

Files

Files (47.2 GB)

Name Size Download all
md5:e1e8fd1fac7671782c80971617643521
7.9 GB Download
md5:dc57f70a94422709b9d4cea1c798a9ed
7.9 GB Download
md5:c50b8a87a571dff1366ec468bcf0e17d
7.9 GB Download
md5:920b78ad5d8b21cc536ff169eaaa6f68
7.9 GB Download
md5:8210010b47a5906ea8424a77a0a62282
7.9 GB Download
md5:6308bd57d383f73e023a7068f07fbc42
7.9 GB Download

Additional details

Related works

Is described by
Dataset: 10.5281/zenodo.7586703 (DOI)
Journal article: 10.1016/j.celrep.2023.112831 (DOI)