Published September 13, 2021 | Version 1.0.0

List of the structures of S-protein in complex with ligands deposited in the Protein Data Bank until the 1st January 2021.

  • 1. Associate Laboratory i4HB - Institute for Health and Bioeconomy, School of Science and Technology, Universidade Nova de Lisboa, 2819-516 Caparica, Portugal; UCIBIO – Applied Molecular Biosciences Unit, Department of Chemistry, School of Science and Technology, Universidade Nova de Lisboa, 2819-516 Caparica, Portugal

Description

All 131 structures of SARS-CoV-2 S-protein in complex with a ligand released on the PDB until the 1st January 2021 were categorised by ligand type: hACE2, antibody Fab fragments, VHH antibody fragments or de novo designed peptide scaffolds. The ligands’ amino acid sequences, the method by which the structures were determined and their resolution were retrieved from the PDB. Information regarding the ligands' production method, dissociation constants (KD), S-protein segment against which the KD were measured and the determination methods were retrieved from the respective references. The categorisation of ligands by S-protein binding site and listing of S-protein conformation in each structure were achieved by visual analysis of all the structures using molecular visualisation software PyMOL.

Files

s-protein complexes 01012021.csv

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Additional details

Funding

European Commission
PURE - Precisely Patterned Nanofibers for High Performance Bioseparations 899732

References