8AXP

Neisseria gonorrhoeae peptidyl-tRNA hydrolase complexed with an XChem hit.

Summary for 8AXP

Entry DOI	10.2210/pdb8axp/pdb
Descriptor	Peptidyl-tRNA hydrolase, N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, SULFATE ION, ... (4 entities in total)
Functional Keywords	inhibitor, complex, hydrolase
Biological source	Neisseria gonorrhoeae
Total number of polymer chains	2
Total formula weight	44098.30
Authors	Roe, S.M.,Fearon, D. (deposition date: 2022-08-31, release date: 2022-11-09, Last modification date: 2024-01-31)
Primary citation	Hassell-Hart, S.,Speranzini, E.,Srikwanjai, S.,Hossack, E.,Roe, S.M.,Fearon, D.,Akinbosede, D.,Hare, S.,Spencer, J. Synthesis of a Thiazole Library via an Iridium-Catalyzed Sulfur Ylide Insertion Reaction. Org.Lett., 24:7924-7927, 2022 Cited by PubMed Abstract: A library of thiazoles and selenothiazoles were synthesized via Ir-catalyzed ylide insertion chemistry. This process is a functional group, particularly heterocycle-substituent tolerant. This was applied to the synthesis of fanetizole, an anti-inflammatory drug, and a thiazole-containing drug fragment that binds to the peptidyl-tRNA hydrolase (Pth) in Neisseria gonorrheae bacteria. PubMed: 36265082 DOI: 10.1021/acs.orglett.2c02996 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.83 Å)

Structure validation