6apw | pdb_00006apw

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

spinqualitylabelsall models 6apw, resolution 2.61Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6apw is a 1 chain structure with sequence from "micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: BTV Gene: birA, BER48_001399, SAMEA2236422_00088, SAMEA2236459_00088, SAMEA2384800_00088, SAMEA2384856_00382, SAMEA2445640_00088 ("Micrococcus aureus" (Rosenbach 1884) Zopf 1885) Activity: [acetyl-CoA-carboxylase_ligase Biotin--[acetyl-CoA-carboxylase] ligase], with EC number 6.3.4.15 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [A0A181HT70_STAAU] Acts both as a biotin--[acetyl-CoA-carboxylase] ligase and a repressor.[HAMAP-Rule:MF_00978] Publication Abstract from PubMed 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 mug/mL. Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.,Paparella AS, Lee KJ, Hayes AJ, Feng J, Feng Z, Cini D, Deshmukh S, Booker GW, Wilce MCJ, Polyak SW, Abell AD ACS Infect Dis. 2017 Nov 16. doi: 10.1021/acsinfecdis.7b00134. PMID:29131575 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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