Literature DB >> 16595557

NQ-Flipper: validation and correction of asparagine/glutamine amide rotamers in protein crystal structures.

Christian X Weichenberger1, Manfred J Sippl.   

Abstract

The error rate of asparagine (Asn) and glutamine (Gln) amide rotamers in protein crystal structures is in the order of 20% and as a consequence the current Protein Database (PDB) contains approximately half a million incorrect Asn and Gln side-chain rotamers. Here we present NQ-Flipper, a web service based on knowledge-based potentials of mean force to automatically detect and correct erroneous rotamers. We achieve excellent agreement with expert curated data.

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Year:  2006        PMID： 16595557     DOI： 10.1093/bioinformatics/btl128

Source DB:  PubMed          Journal:  Bioinformatics        ISSN： 1367-4803            Impact factor:   6.937


  13 in total

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9.  Hydrogen-bond detection, configuration assignment and rotamer correction of side-chain amides in large proteins by NMR spectroscopy through protium/deuterium isotope effects.

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