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: 29131575 DOI: 10.1021/acsinfecdis.7b00134 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation