30XK image
Deposition Date 2026-05-15
Release Date 2026-06-24
Last Version Date 2026-07-29
Entry Detail
PDB ID:
30XK
Keywords:
Title:
Seryl-tRNA synthetase in complex with a fragment-sized inhibitor (3-cyclopropyl benzoic acid)
Biological Source:
Source Organism(s):
Escherichia coli (Taxon ID: 562)
Expression System(s):
Method Details:
Experimental Method:
Resolution:
1.47 Å
R-Value Free:
0.19
R-Value Work:
0.17
R-Value Observed:
0.17
Space Group:
P 31 2 1
Macromolecular Entities
Polymer Type:polypeptide(L)
Molecule:Serine--tRNA ligase
Gene (Uniprot):serS
Chain IDs:A
Chain Length:430
Number of Molecules:1
Biological Source:Escherichia coli
Primary Citation
Rapid Fragment Screening by 19 F Steady-State Free Precession NMR.
Angew.Chem.Int.Ed.Engl. 65 e6891540 e6891540 (2026)
PMID: 42189714 DOI: 10.1002/anie.6891540

Abstact

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 19F SSFP for fragment-based screening, achieving broadband excitation ( > 120 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 19F SSFP as a robust approach for rapid fragment screening in drug discovery.

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