8ENI
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor
Summary for 8ENI
| Entry DOI | 10.2210/pdb8eni/pdb |
| Related | 6APW 6AQQ |
| Descriptor | Bifunctional ligase/repressor BirA, 3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one (3 entities in total) |
| Functional Keywords | biotin protein ligase, inhibitor, dna binding protein, ligase-ligase inhibitor complex, ligase/ligase inhibitor |
| Biological source | Staphylococcus aureus subsp. aureus Mu50 |
| Total number of polymer chains | 1 |
| Total formula weight | 38517.44 |
| Authors | Wilce, M.C.J.,Cini, D.A. (deposition date: 2022-09-30, release date: 2022-11-30, Last modification date: 2023-10-25) |
| Primary citation | Paparella, A.S.,Lee, K.J.,Hayes, A.J.,Feng, J.,Feng, Z.,Cini, D.,Deshmukh, S.,Booker, G.W.,Wilce, M.C.J.,Polyak, S.W.,Abell, A.D. Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus. ACS Infect Dis, 4:175-184, 2018 Cited by PubMed Abstract: We report the synthesis and evaluation of 5-halogenated-1,2,3-triazoles as inhibitors of biotin protein ligase from Staphylococcus aureus. The halogenated compounds exhibit significantly improved antibacterial activity over their nonhalogenated counterparts. Importantly, the 5-fluoro-1,2,3-triazole compound 4c displays antibacterial activity against S. aureus ATCC49775 with a minimum inhibitory concentration (MIC) of 8 μg/mL. PubMed: 29131575DOI: 10.1021/acsinfecdis.7b00134 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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