title: 1H[19F] NOE NMR structural signatures of the insulin R6 hexamer: evidence of a capped HisB10 site in aryl- and arylacryloyl-carboxylate complexes.
abstract: NEW AND IMPROVED INSULIN: 1H[19F] NOE NMR difference spectra for CF(3)-substituted aromatic carboxylates bound at the HisB10 sites of the R(6) human insulin (HI) hexamer show strong NOEs between the CF(3) groups and the LeuB6, AsnB3, and PheB1 sidechains. The NOEs and structural modeling establish that these carboxylates form closed complexes with the HisB10 site capped by the PheB1 rings.
authors.affiliation: Department of Molecular Biology, The Scripps Research Institute, La Jolla, California 92037, USA.
authors.forename: Donald
authors.initials: D
authors.lastname: Keidel
authors.forename: Maria
authors.initials: M
authors.lastname: Bonaccio
authors.forename: Nima
authors.initials: N
authors.lastname: Ghaderi
authors.forename: Dimitri
authors.initials: D
authors.lastname: Niks
authors.forename: Dan
authors.initials: D
authors.lastname: Borchardt
authors.forename: Michael F
authors.initials: MF
authors.lastname: Dunn
mesh_terms: D002264:Carboxylic Acids / Q000737:chemistry*; D005461:Fluorine / Q000737:chemistry; D006639:Histidine / Q000737:chemistry*; D006801:Humans; D006859:Hydrogen / Q000737:chemistry; D007328:Insulin / Q000737:chemistry*; D008958:Models, Molecular; D019906:Nuclear Magnetic Resonance, Biomolecular; D011487:Protein Conformation
chemical_list: D002264:Carboxylic Acids; D007328:Insulin; D005461:Fluorine; D006639:Histidine; D006859:Hydrogen