7AU8
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13)
Summary for 7AU8
Entry DOI | 10.2210/pdb7au8/pdb |
Related | 7ATM 7ATO 7ATW 7ATX 7AU0 7AU1 7AU9 7AUB 7AUH |
Descriptor | Peptidoglycan D,D-transpeptidase FtsI, 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid (3 entities in total) |
Functional Keywords | d, d-transpeptidase, boron-binding, divalency, hydrolase |
Biological source | Pseudomonas aeruginosa |
Total number of polymer chains | 1 |
Total formula weight | 58416.21 |
Authors | Newman, H.,Bellini, B.,Dowson, C.G. (deposition date: 2020-11-02, release date: 2021-08-11, Last modification date: 2024-01-31) |
Primary citation | Newman, H.,Krajnc, A.,Bellini, D.,Eyermann, C.J.,Boyle, G.A.,Paterson, N.G.,McAuley, K.E.,Lesniak, R.,Gangar, M.,von Delft, F.,Brem, J.,Chibale, K.,Schofield, C.J.,Dowson, C.G. High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64:11379-11394, 2021 Cited by PubMed: 34337941DOI: 10.1021/acs.jmedchem.1c00717 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.79 Å) |
Structure validation
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