9Z5T

Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin-resistant strain H041 in complex with boronate inhibitor VNRX-14079

Summary for 9Z5T

Entry DOI	10.2210/pdb9z5t/pdb
Descriptor	Probable peptidoglycan D,D-transpeptidase PenA, (3R)-7-fluoro-3-{[(2R)-2-(3-fluoro-4-phosphonophenyl)-2-{[3-(methanesulfonyl)-2-oxoimidazolidine-1-carbonyl]amino}acetyl]amino}-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid (3 entities in total)
Functional Keywords	neisseria gonorrhoeae, cephalosporin resistance, penicillin-binding protein 2, boronate inhibitor, ligase
Biological source	Neisseria gonorrhoeae
Total number of polymer chains	1
Total formula weight	36007.77
Authors	Bala, S.,Stratton, C.M.,Davies, C. (deposition date: 2025-11-12, release date: 2026-02-04)
Primary citation	Uehara, T.,Zulli, A.L.,Miller, B.,Avery, L.M.,Boyd, S.A.,Chatwin, C.L.,Chu, G.H.,Drager, A.,Edwards, M.,Hart, S.E.,Myers, C.L.,Rongola, G.,Stevenson, A.,Uehara, K.,Yi, F.,Wang, B.,Liu, Z.,Wang, M.,Zhao, Z.,Zhao, X.,Zhao, H.,Stratton, C.M.,Bala, S.,Davies, C.,Travc, R.,Jerse, A.E.,Pevear, D.C.,Burns, C.J.,Daigle, D.M.,Condon, S.M. A new class of penicillin-binding protein inhibitors to address drug-resistant Neisseria gonorrhoeae To Be Published,
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation