Data DOI: 10.15785/SBGRID/791 | ID: 791
Publication DOI: 10.1038/s41597-020-00652-6
Kastritis Laboratory, Martin Luther University Halle-Wittenberg
Release Date: 21 Aug 2020
1. If this dataset is locally available, it should be accessable at /programs/datagrid/791
2. To download this dataset, please run the following command from your Terminal on a Linux or OS X workstation:
'rsync -av rsync://data.sbgrid.org/10.15785/SBGRID/791 .' (Harvard Medical School, USA)
Depending on your location, faster access may be available from a Tier 1 site closer to your location
'rsync -av rsync://sbgrid.icm.uu.se/10.15785/SBGRID/791 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/791 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/791 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 791 ; shasum -c files.sha'
Storage requirements: 1.7G
Biological Sample:
HADDOCK refined models of ACE2 with the bound RBD of SARS-CoV-2 Spike glycoprotein
Dataset Type:
Structural Model
Subject Composition:
Protein
Collection Facility:
HADDOCK2.2
Data Creation Date:
23 Apr 2020
Related Datasets:
None
Sorokina, M; Kastritis, PL.; Kastritis, P. 2020. "HADDOCK refined models of ACE2 with the bound RBD of SARS-CoV-2 Spike glycoprotein.", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/791.
242 structural models of human ACE2 variants with the bound RBD of SARS-CoV-2 Spike glycoprotein refined with HADDOCK2.2 (initial PDB: 6M17, 6M0J). The structural models include in human population naturally occurring variants of ACE2 (140), models of the mutants with reported effects on the recognition of RBD (39), and computational alanine scanning mutagenesis of ACE2-RBD interface (63). Moreover, all aforementioned ACE2 variants can be found as a structural models of ACE2-B(0)AT1 complex with the bound RBD, including all ions and structurally-important glycan molecules (initial PDB: 6M17).
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Marija Sorokina | Data Collector, Depositor | Martin Luther University Halle-Wittenberg |
| Panagiotis L. Kastritis | Data Collector | Martin Luther University Halle-Wittenberg |
| Panagiotis L. Kastritis | PI | Martin Luther University Halle-Wittenberg |
none
License: CC0
Terms: Our Community Norms as well as good scientific practices expect that proper credit is given via citation. Please use the data citation, as generated by the SBGrid Data Bank.