30XK
Seryl-tRNA synthetase in complex with a fragment-sized inhibitor (3-cyclopropyl benzoic acid)
This is a non-PDB format compatible entry.
Summary for 30XK
| Entry DOI | 10.2210/pdb30xk/pdb |
| Descriptor | Serine--tRNA ligase, 3-cyclopropylbenzoic acid, GLYCEROL, ... (4 entities in total) |
| Functional Keywords | inhibitor, complex, synthetase, trna, fragment, serine, ligase |
| Biological source | Escherichia coli |
| Total number of polymer chains | 1 |
| Total formula weight | 48732.23 |
| Authors | Rudusa, L.,Bobrovs, R.,Aleksis, R. (deposition date: 2026-05-15, release date: 2026-06-24, Last modification date: 2026-07-01) |
| Primary citation | Rudusa, L.,Ozola, S.,Melnykov, K.P.,Filatov, Y.I.,Ryabukhin, S.V.,Bobrovs, R.,Volochnyuk, D.M.,Jaudzems, K.,Aleksis, R. Rapid Fragment Screening by 19 F Steady-State Free Precession NMR. Angew.Chem.Int.Ed.Engl., :e6891540-e6891540, 2026 Cited by PubMed Abstract: Steady-state free precession (SSFP) NMR is emerging as a powerful tool across multiple fields of magnetic resonance, driven by its high sensitivity and advances in acquisition and processing. By continuously detecting steady-state transverse magnetization, SSFP achieves superior signal-to-noise ratios per square-root unit time compared to conventional NMR methods that require magnetization recovery between scans. Here, we demonstrate the application of SSFP for fragment-based screening, achieving broadband excitation ( kHz) and a 2.6-3.3-fold average sensitivity enhancement relative to broadband Carr-Purcell-Meiboom-Gill approaches. This gain translates into up to a tenfold reduction in experimental time, enabling reliable screening of up to 2000 compounds per day. Together, these features establish SSFP as a robust approach for rapid fragment screening in drug discovery. PubMed: 42189714DOI: 10.1002/anie.6891540 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.47 Å) |
Structure validation
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