{"ymdb_id":"YMDB00295","created_at":"2011-05-29T18:03:11.000Z","updated_at":"2016-09-08T18:35:18.000Z","name":"L-Allothreonine","cas":"24830-94-2","state":"Solid","melting_point":"256 oC","description":"Allothreonine is a non-proteinogenic amino acid diastereoisomer of the amino acid threonine. It is rarely found naturally.","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":"Shiraiwa, Tadashi; Fukuda, Keiji; Kubo, Motoki.  Preparation of optically active allothreonine via optical resolution by replacing crystallization.    Chemical \u0026 Pharmaceutical Bulletin  (2002),  50(2),  287-291.","chebi_id":"28718","hmdb_id":"HMDB04041","kegg_id":"C05519","pubchem_id":"99289","cs_id":"89699","foodb_id":null,"wikipedia_link":"","biocyc_id":"L-ALLO-THREONINE","iupac":"(2S,3S)-2-amino-3-hydroxybutanoic acid","traditional_iupac":"L-allothreonine","logp":"-3.4709635238772347","pka":"14.953369305664726","alogps_solubility":"4.77e+02 g/l","alogps_logp":"-3.01","alogps_logs":"0.60","acceptor_count":"4","donor_count":"3","rotatable_bond_count":"2","polar_surface_area":"83.55","refractivity":"26.4598","polarizability":"11.080603006345182","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"9.002504827404067","pka_strongest_acidic":"2.207432028688761","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(2S,3S)-2-amino-3-hydroxybutanoate","(2S,3S)-2-amino-3-hydroxybutanoic acid","Allo-L-threonine","D-Allothreonine","L-allo-Threonine"],"pathways":[{"name":"Glycine, serine and threonine metabolism","kegg_map_id":"00260"}],"growth_conditions":[],"references":[{"pubmed_id":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."},{"pubmed_id":18846089,"citation":"Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). \"A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology.\" Nat Biotechnol 26:1155-1160."},{"pubmed_id":12535615,"citation":"Fujisawa, H., Nagata, S., Misono, H. (2003). \"Characterization of short-chain dehydrogenase/reductase homologues of Escherichia coli (YdfG) and Saccharomyces cerevisiae (YMR226C).\" Biochim Biophys Acta 1645:89-94."},{"pubmed_id":9151955,"citation":"Liu, J. Q., Nagata, S., Dairi, T., Misono, H., Shimizu, S., Yamada, H. (1997). \"The GLY1 gene of Saccharomyces cerevisiae encodes a low-specific L-threonine aldolase that catalyzes cleavage of L-allo-threonine and L-threonine to glycine--expression of the gene in Escherichia coli and purification and characterization of the enzyme.\" Eur J Biochem 245:289-293."}],"proteins":[{"created_at":"2011-05-24T20:08:56.000Z","updated_at":"2011-05-27T14:56:00.000Z","name":"Low specificity L-threonine aldolase","uniprot_id":"P37303","uniprot_name":"GLY1_YEAST","enzyme":true,"transporter":false,"gene_name":"GLY1","num_residues":387,"molecular_weight":"42814.60156","theoretical_pi":"6.24","general_function":"Involved in lyase activity","specific_function":"Catalyzes the cleavage of L-allo-threonine and L- threonine to glycine and acetaldehyde","reactions":[{"id":1690,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2008,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2299,"direction":"\u003e","locations":null,"altext":"L-threonine = glycine + acetaldehyde.","export":false,"pw_reaction_id":null,"source":null},{"id":2300,"direction":"\u003e","locations":null,"altext":"L-allo-threonine = glycine + acetaldehyde.","export":false,"pw_reaction_id":null,"source":null},{"id":3852,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006373","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"L28739","genbank_protein_id":"453570","gene_card_id":"GLY1","chromosome_location":"chromosome 5","locus":"YEL046C","synonyms":["Low specificity L-TA","TA"],"enzyme_classes":["4.1.2.5"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" binding"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" pyridoxal phosphate binding"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Process","description":" cellular amino acid metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"}],"pfams":[{"name":"Beta_elim_lyase","identifier":"PF01212"}],"pathways":[{"name":"Glycine, serine and threonine metabolism","kegg_map_id":"00260"},{"name":"glycine metabolism","kegg_map_id":null},{"name":"threonine metabolism","kegg_map_id":null}],"gene_sequence":"ATGACTGAATTCGAATTGCCTCCAAAATATATCACCGCTGCTAACGACTTGCGGTCAGACACATTCACCACTCCAACTGCAGAGATGATGGAGGCCGCTTTAGAGGCCTCTATCGGTGACGCTGTCTACGGTGAAGATGTTGACACCGTTAGGCTCGAACAGACCGTTGCCCGCATGGCTGGCAAAGAAGCAGGTTTGTTCTGTGTCTCTGGGACTTTGTCCAACCAGATTGCCATCAGAACTCACTTGATGCAACCTCCATACTCTATTCTATGTGATTACAGGGCTCACGTTTACACTCACGAAGCCGCTGGACTGGCGATCTTGTCTCAAGCGATGGTGGTTCCTGTGGTTCCTTCCAACGGTGACTACTTGACCTTGGAAGACATCAAGTCACACTACGTCCCAGACGACGGTGATATTCACGGTGCCCCCACCAGATTGATTTCTCTGGAAAACACTTTACACGGTATTGTTTATCCATTGGAAGAACTGGTCCGCATCAAAGCTTGGTGTATGGAAAATGGTCTCAAACTACATTGTGACGGTGCCAGAATCTGGAATGCCGCTGCACAATCTGGCGTGCCATTAAAGCAATATGGGGAAATCTTCGACTCCATCTCCATCTGTCTATCCAAGTCTATGGGTGCTCCTATTGGGTCCGTCTTGGTTGGGAACCTTAAGTTTGTCAAGAAGGCCACCCATTTCAGAAAACAACAAGGTGGTGGTATTAGACAATCTGGTATGATGGCTAGAATAGCTCTTGTAAACATCAACAACGATTGGAAGTCCCAATTGCTGTACTCGCACTCTTTGGCTCATGAATTAGCCGAATATTGTGAGGCAAAGGGCATCCCGCTAGAGTCTCCAGCAGACACCAACTTTGTCTTTATTAACCTGAAGGCCGCTAGAATGGACCCAGATGTCCTTGTTAAGAAGGGTTTGAAGTACAACGTTAAGCTAATGGGTGGTAGAGTCTCGTTCCACTATCAAGTCACCAGAGATACTTTGGAAAAAGTCAAATTGGCCATCTCCGAGGCCTTCGACTATGCTAAAGAACATCCTTTCGACTGTAACGGACCTACCCAGATTTACCGTAGTGAATCCACCGAGGTCGACGTTGATGGCAACGCTATCCGCGAAATAAAAACCTACAAATACTGA","protein_sequence":"MTEFELPPKYITAANDLRSDTFTTPTAEMMEAALEASIGDAVYGEDVDTVRLEQTVARMAGKEAGLFCVSGTLSNQIAIRTHLMQPPYSILCDYRAHVYTHEAAGLAILSQAMVVPVVPSNGDYLTLEDIKSHYVPDDGDIHGAPTRLISLENTLHGIVYPLEELVRIKAWCMENGLKLHCDGARIWNAAAQSGVPLKQYGEIFDSISICLSKSMGAPIGSVLVGNLKFVKKATHFRKQQGGGIRQSGMMARMALVNINNDWKSQLLYSHSLAHELAEYCEAKGIPLESPADTNFVFINLKAARMDPDVLVKKGLKYNVKLMGGRVSFHYQVTRDTLEKVKLAISEAFDYAKEHPFDCNGPTQIYRSESTEVDVDGNAIREIKTYKY"},{"created_at":"2011-05-27T01:58:52.000Z","updated_at":"2011-05-29T14:01:21.000Z","name":"Uncharacterized oxidoreductase YMR226C","uniprot_id":"Q05016","uniprot_name":"YM71_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":267,"molecular_weight":"29158.09961","theoretical_pi":"6.81","general_function":"Involved in oxidoreductase activity","specific_function":null,"reactions":[{"id":1691,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1704,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2652,"direction":"\u003e","locations":null,"altext":"L-serine + NADP+ = 2-ammoniomalonate semialdehyde + NADPH + H+","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"Z49939","genbank_protein_id":"887607","gene_card_id":null,"chromosome_location":null,"locus":"YMR226C","synonyms":[],"enzyme_classes":["1.-.-.-","1.1.1.276"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" oxidation reduction"}],"pfams":[{"name":"adh_short","identifier":"PF00106"}],"pathways":[],"gene_sequence":"ATGTCCCAAGGTAGAAAAGCTGCAGAAAGATTGGCTAAGAAGACTGTCCTCATTACAGGTGCATCTGCTGGTATTGGTAAGGCGACCGCATTAGAGTACTTGGAGGCATCCAATGGTGATATGAAACTGATCTTGGCTGCTAGAAGATTAGAAAAGCTCGAGGAATTGAAGAAGACCATTGATCAAGAGTTTCCAAACGCAAAAGTTCATGTGGCCCAGCTGGATATCACTCAAGCAGAAAAAATCAAGCCCTTCATTGAAAACTTGCCACAAGAGTTCAAGGATATTGACATTCTGGTGAACAATGCCGGAAAGGCTCTTGGCAGTGACCGTGTGGGCCAGATCGCAACGGAGGATATCCAGGACGTGTTTGACACCAACGTCACGGCTTTAATCAATATCACACAAGCTGTACTGCCCATATTCCAAGCCAAGAATTCAGGAGATATTGTAAATTTGGGTTCAATCGCTGGCAGAGACGCATACCCAACAGGTTCTATCTATTGTGCCTCTAAGTTTGCCGTGGGGGCGTTCACTGATAGTTTGAGAAAGGAGCTCATCAACACTAAAATTAGAGTCATTCTAATTGCACCAGGGCTAGTCGAGACTGAATTTTCACTAGTTAGATACAGAGGTAACGAGGAACAAGCCAAGAATGTTTACAAGGATACTACCCCATTGATGGCTGATGACGTGGCTGATCTGATCGTCTATGCAACTTCCAGAAAACAAAATACTGTAATTGCAGACACTTTAATCTTTCCAACAAACCAAGCGTCACCTCATCATATCTTCCGTGGATAA","protein_sequence":"MSQGRKAAERLAKKTVLITGASAGIGKATALEYLEASNGDMKLILAARRLEKLEELKKTIDQEFPNAKVHVAQLDITQAEKIKPFIENLPQEFKDIDILVNNAGKALGSDRVGQIATEDIQDVFDTNVTALINITQAVLPIFQAKNSGDIVNLGSIAGRDAYPTGSIYCASKFAVGAFTDSLRKELINTKIRVILIAPGLVETEFSLVRYRGNEEQAKNVYKDTTPLMADDVADLIVYATSRKQNTVIADTLIFPTNQASPHHIFRG"}]}