title: The three-dimensional solution structure of RANTES.
abstract: The solution structure of the chemokine RANTES (regulated on activation, normal T-cell expressed and secreted) has been determined using NMR spectroscopy. Backbone and side-chain 1H and 15N assignments have been obtained using a combination of two-dimensional homonuclear and three-dimensional heteronuclear spectra. Regular elements of secondary structure have been identified on the basis of a qualitative interpretation of NOE data, J(NH-H alpha) coupling constants, and amide exchange rates. Three-dimensional structures were calculated from a total of 2146 experimental restraints using a combination of distance geometry and simulated annealing protocols. For the 13 best structures the average backbone (N, C alpha, C) atomic rmsd from the mean coordinates for residues 5-65 is 0.64 A (+/- 0.14 A) for the dimer and 0.50 A (+/- 0.08 A) for the individual monomers. Each monomer consists of a three-stranded antiparallel beta-sheet (residues 26-30, 38-43, 48-51) in a Greek key motif with a C-terminal helix (56-65) packed across the sheet, an arrangement similar to the monomeric structure of other members of this chemokine family (IL-8, PF4, MGSA/Gro alpha, and MIP-1 beta). Overall, the RANTES dimer resembles that previously reported for MIP-1 beta.
authors.affiliation: Department of Biomolecular Structure, Glaxo Research and Development Ltd., Hertfordshire, U.K.
authors.forename: C W
authors.initials: CW
authors.lastname: Chung
authors.forename: R M
authors.initials: RM
authors.lastname: Cooke
authors.forename: A E
authors.initials: AE
authors.lastname: Proudfoot
authors.forename: T N
authors.initials: TN
authors.lastname: Wells
mesh_terms: D000595:Amino Acid Sequence; D018946:Chemokine CCL5; D003001:Cloning, Molecular; D003196:Computer Graphics; D017124:Conserved Sequence; D004926:Escherichia coli; D006801:Humans; D006860:Hydrogen Bonding; D008222:Lymphokines / Q000737:chemistry*; D046911:Macromolecular Substances; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008961:Models, Structural; D008969:Molecular Sequence Data; D017433:Protein Structure, Secondary; D011994:Recombinant Proteins / Q000737:chemistry; D017386:Sequence Homology, Amino Acid; D013601:T-Lymphocytes / Q000276:immunology
chemical_list: D018946:Chemokine CCL5; D008222:Lymphokines; D046911:Macromolecular Substances; D011994:Recombinant Proteins