7ATO
Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2)
Summary for 7ATO
Entry DOI | 10.2210/pdb7ato/pdb |
Related | 7ATM 7ATW 7ATX 7AU0 7AU1 7AU8 7AU9 7AUB 7AUH |
Descriptor | Peptidoglycan D,D-transpeptidase FtsI, (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, ... (5 entities in total) |
Functional Keywords | d, d-transpeptidase, boron-binding, trivalency, hydrolase |
Biological source | Pseudomonas aeruginosa PAO1 |
Total number of polymer chains | 1 |
Total formula weight | 58373.25 |
Authors | Newman, H.,Bellini, B.,Dowson, C.G. (deposition date: 2020-10-30, 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 (1.587 Å) |
Structure validation
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