Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/256805
COMPARTIR / EXPORTAR:
SHARE CORE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Título: | 3D structure of bovine pancreatic ribonuclease A in aqueous solution: An approach to tertiary structure determination from a small basis of1H NMR NOE correlations |
Autor: | Rico, Manuel CSIC; Santoro, Jorge CSIC; González, Carlos CSIC ; Bruix, M. CSIC ORCID ; Neira, José L. CSIC ORCID; Nieto, J. L.; Herranz, J. | Palabras clave: | RNase A solution structure 2D1H NMR RNase A active center Crystal and solution protein structures Method to generate starting structures |
Fecha de publicación: | sep-1991 | Editor: | Kluwer Academic Publishers | Citación: | Journal of Biomolecular NMR 1: 283-298 (1991) | Resumen: | A method is proposed to generate initial structures in cases where the distance geometry method may fail, such as when the set of1H NMR NOE-based distance constraints is small in relation to the size of the protein. The method introduces an initial correlation between the φ and ψ backbone angles (based on empirical observations) which is relaxed in later stages of the calculation. The obtained initial structures are refined by well-established methods of energy minimization and restrained molecular dynamics. The method is applied to determine the solution structure of Ribonuclease A (124 residues) from a NOE basis consisting of 467 NOE cross-correlations (97 intra-residue, 206 sequential, 23 medium-range and 141 long-range) obtained at 360 MHz. The global shape and backbone overall fold of the eight final refined structures are close to those shown by the crystal structure. A meaningful difference in the positioning of the catalytically important His119 side chain in the solution and crystal structures has been detected. | Versión del editor: | http://dx.doi.org/10.1007/BF01875521 | URI: | http://hdl.handle.net/10261/256805 | DOI: | 10.1007/BF01875521 | Identificadores: | doi: 10.1007/BF01875521 issn: 0925-2738 e-issn: 1573-5001 |
Aparece en las colecciones: | (IQF) Artículos (CFMAC-IEM) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
accesoRestringido.pdf | 15,38 kB | Adobe PDF | Visualizar/Abrir |
CORE Recommender
Page view(s)
35
checked on 03-may-2024
Download(s)
10
checked on 03-may-2024
Google ScholarTM
Check
Altmetric
Altmetric
NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.