title: X-ray crystallographic studies on butyryl-ACP reveal flexibility of the structure around a putative acyl chain binding site.
abstract: Acyl carrier protein (ACP) is an essential cofactor in biosynthesis of fatty acids and many other reactions that require acyl transfer steps. We have determined the first crystal structures of an acylated form of ACP from E. coli, that of butyryl-ACP. Our analysis of the molecular surface of ACP reveals a plastic hydrophobic cavity in the vicinity of the phosphopantethylated Ser36 residue that is expanded and occupied by the butyryl and beta-mercaptoethylamine moieties of the acylated 4'-phosphopantetheine group in one of our crystal forms. In the other form, the cavity is contracted, and we propose that the protein has adopted the conformation after delivery of substrate into the active site of a partner enzyme.
authors.affiliation: Krebs Institute for Biomolecular Research, Department of Molecular Biology and Biotechnology, The University of Sheffield, S10 2TN, Sheffield, United Kingdom.
authors.forename: Anna
authors.initials: A
authors.lastname: Roujeinikova
authors.forename: Clair
authors.initials: C
authors.lastname: Baldock
authors.forename: William J
authors.initials: WJ
authors.lastname: Simon
authors.forename: John
authors.initials: J
authors.lastname: Gilroy
authors.forename: Patrick J
authors.initials: PJ
authors.lastname: Baker
authors.forename: Antoine R
authors.initials: AR
authors.lastname: Stuitje
authors.forename: David W
authors.initials: DW
authors.lastname: Rice
authors.forename: Antoni R
authors.initials: AR
authors.lastname: Slabas
authors.forename: John B
authors.initials: JB
authors.lastname: Rafferty
mesh_terms: D000213:Acyl Carrier Protein / Q000737:chemistry* / Q000378:metabolism; D001665:Binding Sites; D018360:Crystallography, X-Ray; D004926:Escherichia coli / Q000737:chemistry / Q000378:metabolism; D029968:Escherichia coli Proteins / Q000737:chemistry* / Q000378:metabolism; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D011487:Protein Conformation; D017433:Protein Structure, Secondary; D017434:Protein Structure, Tertiary
chemical_list: D000213:Acyl Carrier Protein; D029968:Escherichia coli Proteins