6NDL

Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor

Summary for 6NDL

Entry DOI	10.2210/pdb6ndl/pdb
Descriptor	Biotin Protein Ligase, GLYCEROL, 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea, ... (4 entities in total)
Functional Keywords	bpl inhibitor, sulfonamide analogue, amino sulfonylurea, antibiotic, ligase, ligase-ligase inhibitor complex, ligase/ligase inhibitor
Biological source	Staphylococcus aureus
Total number of polymer chains	1
Total formula weight	39058.99
Authors	Marshall, A.C.,Polyak, S.W.,Bruning, J.B.,Lee, K. (deposition date: 2018-12-13, release date: 2019-12-18, Last modification date: 2023-10-11)
Primary citation	Lee, K.J.,Tieu, W.,Blanco-Rodriguez, B.,Paparella, A.S.,Yu, J.,Hayes, A.,Feng, J.,Marshall, A.C.,Noll, B.,Milne, R.,Cini, D.,Wilce, M.C.J.,Booker, G.W.,Bruning, J.B.,Polyak, S.W.,Abell, A.D. Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads. Acs Chem.Biol., 14:1990-1997, 2019 Cited by PubMed: 31407891 DOI: 10.1021/acschembio.9b00463 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation