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http://hdl.handle.net/10261/256805
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dc.contributor.author | Rico, Manuel | - |
dc.contributor.author | Santoro, Jorge | - |
dc.contributor.author | González, Carlos | - |
dc.contributor.author | Bruix, M. | - |
dc.contributor.author | Neira, José L. | - |
dc.contributor.author | Nieto, J. L. | - |
dc.contributor.author | Herranz, J. | - |
dc.date.accessioned | 2021-12-22T14:30:02Z | - |
dc.date.available | 2021-12-22T14:30:02Z | - |
dc.date.issued | 1991-09 | - |
dc.identifier | doi: 10.1007/BF01875521 | - |
dc.identifier | issn: 0925-2738 | - |
dc.identifier | e-issn: 1573-5001 | - |
dc.identifier.citation | Journal of Biomolecular NMR 1: 283-298 (1991) | - |
dc.identifier.uri | http://hdl.handle.net/10261/256805 | - |
dc.description.abstract | 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. | - |
dc.description.sponsorship | This work has been performed under the project PB87-0330 of the Comisi6n Interministerial de Ciencia y Tecnoiogia (Spain). | - |
dc.language | eng | - |
dc.publisher | Kluwer Academic Publishers | - |
dc.rights | closedAccess | - |
dc.subject | RNase A solution structure | - |
dc.subject | 2D1H NMR | - |
dc.subject | RNase A active center | - |
dc.subject | Crystal and solution protein structures | - |
dc.subject | Method to generate starting structures | - |
dc.title | 3D structure of bovine pancreatic ribonuclease A in aqueous solution: An approach to tertiary structure determination from a small basis of1H NMR NOE correlations | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1007/BF01875521 | - |
dc.relation.publisherversion | http://dx.doi.org/10.1007/BF01875521 | - |
dc.date.updated | 2021-12-22T14:30:03Z | - |
dc.contributor.funder | Comisión Interministerial de Ciencia y Tecnología, CICYT (España) | - |
dc.relation.csic | Sí | - |
dc.identifier.funder | http://dx.doi.org/10.13039/501100007273 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | none | - |
item.fulltext | No Fulltext | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
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