6R1V
Solution structure of sortase A from S. aureus in complex with 2-(aminomethyl)-3-hydroxy-4H-pyran-4-one based prodrug
Summary for 6R1V
| Entry DOI | 10.2210/pdb6r1v/pdb |
| NMR Information | BMRB: 34379 |
| Descriptor | Sortase A, 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one (2 entities in total) |
| Functional Keywords | inhibitor, covalent complex, prodrug, hydrolase |
| Biological source | Staphylococcus aureus subsp. aureus NCTC 8325 |
| Total number of polymer chains | 1 |
| Total formula weight | 17063.32 |
| Authors | Jaudzems, K.,Leonchiks, A. (deposition date: 2019-03-15, release date: 2020-01-22, Last modification date: 2023-06-14) |
| Primary citation | Jaudzems, K.,Kurbatska, V.,Je Kabsons, A.,Bobrovs, R.,Rudevica, Z.,Leonchiks, A. Targeting Bacterial Sortase A with Covalent Inhibitors: 27 New Starting Points for Structure-Based Hit-to-Lead Optimization. Acs Infect Dis., 6:186-194, 2020 Cited by PubMed: 31724850DOI: 10.1021/acsinfecdis.9b00265 PDB entries with the same primary citation |
| Experimental method | SOLUTION NMR |
Structure validation
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