8GCW
Stx2A1(Y77A)-P6 peptide
Summary for 8GCW
| Entry DOI | 10.2210/pdb8gcw/pdb |
| Descriptor | rRNA N-glycosylase, P stalk protein (3 entities in total) |
| Functional Keywords | toxin |
| Biological source | Escherichia coli More |
| Total number of polymer chains | 2 |
| Total formula weight | 28519.00 |
| Authors | Rudolph, M.J.,Li, X.P. (deposition date: 2023-03-03, release date: 2024-03-06, Last modification date: 2024-09-18) |
| Primary citation | Rudolph, M.J.,Tsymbal, A.M.,Dutta, A.,Davis, S.A.,Algava, B.,Roberge, J.Y.,Tumer, N.E.,Li, X.P. Fragment Screening to Identify Inhibitors Targeting Ribosome Binding of Shiga Toxin 2. Acs Infect Dis., 10:2814-2825, 2024 Cited by PubMed Abstract: Shiga toxins are the main virulence factors of Shiga toxin producing (STEC) and . There is no effective therapy to counter the disease caused by these toxins. The A1 subunits of Shiga toxins bind the C-termini of ribosomal P-stalk proteins to depurinate the sarcin/ricin loop. The ribosome binding site of Shiga toxin 2 has not been targeted by small molecules. We screened a fragment library against the A1 subunit of Shiga toxin 2 (Stx2A1) and identified a fragment, , which bound at the ribosome binding site and mimicked the binding mode of the P-stalk proteins. We synthesized analogs of and identified a series of molecules with similar affinity and inhibitory activity. These are the first compounds that bind at the ribosome binding site of Stx2A1 and inhibit activity. These compounds hold great promise for further inhibitor development against STEC infection. PubMed: 38873918DOI: 10.1021/acsinfecdis.4c00224 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (3.1 Å) |
Structure validation
Download full validation report
