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    • 2. 发明授权
    • Method for de novo peptide sequence determination
    • 从头肽序列测定方法
    • US06582965B1
    • 2003-06-24
    • US08877605
    • 1997-06-18
    • Robert Reid TownsendRaj Bhikhu ParekhSally Barbara PrimeNick Sinclair Wedd
    • Robert Reid TownsendRaj Bhikhu ParekhSally Barbara PrimeNick Sinclair Wedd
    • G01N3300
    • G01N33/6848G01N33/6818H01J49/0036H01J49/0045
    • The present invention relates to a method for generating a library of peptides based on a peptide of a predetermined molecular mass and to a method of determining the amino acid sequence of the peptide from the library. A set of amino acids that can be present in the peptide are defined, and an allowed library of all possible sequences of the amino acids in the set having a total mass equal to the predetermined molecular mass, allowing for water lost in forming peptide bonds and for protonation, is generated. The allowed library may be generated by first generating a set of all combinations of amino acids having a total mass equal to the predetermined molecular mass of the peptide and then calculating all linear permutations of all amino acids in each such combination. Generally, the molecular mass is determined using a mass spectrometer. A theoretical fragmentation spectrum for every amino acid sequence in the allowed set may also be calculated for use in determining the amino acid sequence of the peptide. The fragmentation spectra may be of any type known in the art, such as a mass spectrum or a protease or chemical fragmentation spectrum. The theoretical fragmentation spectra calculated for each member of the allowed peptide library may be compared to an experimental fragmentation spectrum for the unknown peptide to determine the amino acid sequence of the unknown peptide.
    • 本发明涉及一种基于预定分子量的肽产生肽文库的方法和从该文库确定肽的氨基酸序列的方法。 定义了可以存在于肽中的一组氨基酸,并且所述组中氨基酸的所有可能序列的允许文库具有等于预定分子量的总质量,允许在形成肽键时失去水分, 产生质子。 可以通过首先产生具有等于肽的预定分子量的总质量的氨基酸的所有组合的集合,然后计算每个这样的组合中所有氨基酸的所有线性排列来产生所允许的文库。 通常使用质谱仪测定分子量。 也可以计算允许集合中每个氨基酸序列的理论碎片谱,以用于确定肽的氨基酸序列。 碎裂光谱可以是本领域已知的任何类型,例如质谱或蛋白酶或化学断裂谱。 可以将允许的肽文库的每个成员计算的理论碎片谱与未知肽的实验碎片谱进行比较,以确定未知肽的氨基酸序列。
    • 5. 发明授权
    • Automated identification of peptides
    • 肽的自动鉴定
    • US06963807B2
    • 2005-11-08
    • US09950313
    • 2001-09-10
    • Robert Reid TownsendAndrew William Robinson
    • Robert Reid TownsendAndrew William Robinson
    • G01N33/68G06F19/22G06K9/00G06F17/00G06F17/30
    • G01N33/6848G01N33/6818G06F19/22G06K9/00536Y10T436/24
    • A fully automated, user-independent method is described for computer-mediated interpretation of data derived by mass spectrometry of an experimental peptide to identify and characterize a corresponding peptide sequence in a peptide database. The method identifies the corresponding sequence if it is present in the database, without the need for a skilled observer to choose from amongst a list of possible matches. By using an automated back-read process, the present method can uniquely identify a corresponding peptide sequence in a database based on a single matching peptide sequence. The method also permits mapping of mass spectral data to sequences in peptide or nucleotide databases for unambiguous identification of exons; determining a correct reading frame; identifying artefacts and errors in sequences; identifying mutations and polymorphisms; identifying post-translational modifications; and identifying exon-intron boundaries.
    • 描述了一种完全自动的,与用户无关的方法,用于计算机介导的通过实验肽的质谱法衍生的数据的解释,以鉴定和表征肽数据库中相应的肽序列。 如果方法存在于数据库中,则该方法识别相应的序列,而不需要熟练的观察者从可能的匹配列表中进行选择。 通过使用自动回读过程,本方法可以基于单个匹配的肽序列唯一地识别数据库中相应的肽序列。 该方法还允许将质谱数据映射到肽或核苷酸数据库中的序列,以明确识别外显子; 确定正确的阅读框架; 识别序列中的人为因素和错误; 识别突变和多态性; 识别翻译后修饰; 并识别外显子 - 内含子边界。