3U16

Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzyloxy)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Summary for 3U16

• Entry DOI: 10.2210/pdb3u16/pdb
• Related: 3O82 3O83 3O84 3U17
• Descriptor: Peptide arylation enzyme, 6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, CALCIUM ION, ... (6 entities in total)
• Functional Keywords: anl superfamily, adenylating enzyme, 2, 3-dihydroxybenzoate:aryl carrier protein ligase, basf, ligase
• Biological source: Acinetobacter baumannii
• Total number of polymer chains: 2
• Total formula weight: 123086.28

Authors

Gulick, A.M.,Drake, E.J.,Aldrich, C.C.,Neres, J. (deposition date: 2011-09-29, release date: 2012-10-03, Last modification date: 2023-09-13)

• Primary citation: Neres, J.,Engelhart, C.A.,Drake, E.J.,Wilson, D.J.,Fu, P.,Boshoff, H.I.,Barry 3rd, C.E.,Gulick, A.M.,Aldrich, C.C.; Non-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii.; J.Med.Chem., 56:2385-2405, 2013; PubMed: 23437866; DOI: 10.1021/jm301709s

Experimental method

X-RAY DIFFRACTION (2.1 Å)