{"ymdb_id":"YMDB00105","created_at":"2011-05-29T15:57:10.000Z","updated_at":"2016-09-08T18:35:02.000Z","name":"L-3-Hydroxykynurenine","cas":"606-14-4","state":"Solid","melting_point":"","description":"L-3-Hydroxykynurenine is an intermediate in the tryptophan degradation to 2-amino-3-carboxymuconate semialdehyde pathway. This pathway is found in many eukaryotes and some prokaryotes. [Biocyc PWY-5651]","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":null,"chebi_id":"17380","hmdb_id":"HMDB11631","kegg_id":"C03227","pubchem_id":"11811","cs_id":"11318","foodb_id":null,"wikipedia_link":null,"biocyc_id":"3-HYDROXY-L-KYNURENINE","iupac":"(2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid","traditional_iupac":"3-hydroxy-L-kynurenine","logp":"-2.212526806637731","pka":"9.856351637136484","alogps_solubility":"3.33e+00 g/l","alogps_logp":"-2.09","alogps_logs":"-1.83","acceptor_count":"6","donor_count":"4","rotatable_bond_count":"4","polar_surface_area":"126.64000000000001","refractivity":"57.0311","polarizability":"21.667920358228034","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"8.90351767222249","pka_strongest_acidic":"0.986621703292279","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["3-(2-amino-3-hydroxybenzoyl)-L-alanine","3-(3-hydroxyanthraniloyl)-L-alanine","3-Hydroxy-L-kynurenine","L-3-HK"],"pathways":[{"name":"Tryptophan metabolism","kegg_map_id":"00380"},{"name":"NAD metabolism","kegg_map_id":null}],"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":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"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":4266242,"citation":"Shetty, A. S., Gaertner, F. H. (1973). \"Distinct kynureninase and hydroxykynureninase activities in microorganisms: occurrence and properties of a single physiologically discrete enzyme in yeast.\" J Bacteriol 113:1127-1133."},{"pubmed_id":1244118,"citation":"Gaertner, F. H., Shetty, A. S. (1975). \"Hydroxykynureninase and the excretion of 3-hydroxyanthranilate by yeast.\" Acta Vitaminol Enzymol 29:332-334."},{"pubmed_id":12062417,"citation":"Panozzo, C., Nawara, M., Suski, C., Kucharczyka, R., Skoneczny, M., Becam, A. M., Rytka, J., Herbert, C. J. (2002). \"Aerobic and anaerobic NAD+ metabolism in Saccharomyces cerevisiae.\" FEBS Lett 517:97-102."}],"proteins":[{"created_at":"2011-05-26T19:29:31.000Z","updated_at":"2011-05-27T15:01:06.000Z","name":"Kynurenine 3-monooxygenase","uniprot_id":"P38169","uniprot_name":"KMO_YEAST","enzyme":true,"transporter":false,"gene_name":"BNA4","num_residues":460,"molecular_weight":"52428.89844","theoretical_pi":"8.59","general_function":"Involved in monooxygenase activity","specific_function":"Catalyzes the hydroxylation of L-kynurenine (L-Kyn) to form 3-hydroxy-L-kynurenine (L-3OHKyn). Required for synthesis of quinolinic acid","reactions":[{"id":1684,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2571,"direction":"\u003e","locations":"Mitochondrion","altext":"L-kynurenine + NADPH + O(2) = 3-hydroxy-L-kynurenine + NADP(+) + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":4187,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006487","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion","genbank_gene_id":"AY692951","genbank_protein_id":"51013353","gene_card_id":"BNA4","chromosome_location":"chromosome 2","locus":"YBL098W","synonyms":["Biosynthesis of nicotinic acid protein 4","Kynurenine 3-hydroxylase"],"enzyme_classes":["1.14.13.9"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Function","description":" monooxygenase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" oxidation reduction"}],"pfams":[{"name":"FAD_binding_3","identifier":"PF01494"}],"pathways":[{"name":"Tryptophan metabolism","kegg_map_id":"00380"},{"name":"NAD metabolism","kegg_map_id":null}],"gene_sequence":"ATGTCTGAATCAGTGGCCATTATAGGTGCAGGATTAGTAGGCTGCCTTGCAGCTTTGGCATTCTCCAAAGAAGGCTACAATGTCACACTATATGATTTTAGACAAGATCCTCGATTGGACACCACCAAAAATAAAAATTTGAAATCCATTAATTTGGCTATTTCTGCTCGTGGCATTGATGCTCTGAAATCAATAGATCCGGATGCTTGTGAACATATTCTGCAAGATATGATTCCCATGAAAGGCAGGATGATTCATGACTTGAAAGGCAGACAGGAATCACAATTGTATGGCTTGCATGGAGAAGCTATTAATTCTATCAATAGATCTGTATTAAATAATAGCCTTTTGGACGAATTAGAAAAATCTACAACAGAACTGAAGTTCGGTCACAAATTAGTCAAAATCGAATGGACAGATGATAAACAAATCTGTCATTTTGCCATTGGGGAAGATTTGAAAACCCCACATACTGAAAAGTATGATTTTGTCATAGGTTGTGACGGAGCATACTCTGCGACGAGATCGCAAATGCAACGTAAAGTTGAGATGGATTTTTCACAAGAATATATGAATTTACGTTACATTGAACTTTACATCCCGCCTACTGAGGAATTCAAGCCAAACTATGGCGGAAATTTTGCAATAGCTCCTGACCATTTGCACATTTGGCCTCGTCATAAATTCATGTTAATTGCGCTCGCCAACAGTGACGGCTCGTTCACTTCAACCTTTTTCGGTTCTAAAGATCAAATATCAGATCTGATAACTTCCAAGTCACGTGTGAGGGAATTCTTAATCGAGAACTTTCCCGATATTATTAATATTATGGATTTGGACGATGCTGTCAAAAGGTTTATCACTTATCCAAAGGAAAGTCTTGTCTGTGTAAACTGTAAGCCATACGATGTACCAGGCGGAAAGGCCATCCTACTCGGCGACGCTGCCCATGCAATGGTTCCATTTTACGGCCAAGGTATGAATTGCGGATTTGAAGATGTGAGAATTCTTATGGCGCTATTGAAAAAGCATTCAGGAGATCGTTCAAGAGCCTTTACTGAGTACACTCAAACAAGACATAAGGACCTAGTTTCTATTACTGAGCTGGCAAAAAGGAACTATAAAGAAATGTCACATGACGTTACATCCAAGCGGTTTTTATTAAGGAAAAAGCTAGATGCTCTCTTTAGTATTATAATGAAGGATAAGTGGATACCTTTGTATACAATGATATCTTTCAGATCCGATATCTCGTATTCTAGAGCTTTAGAAAGGGCTGGAAAGCAAACACGTATCTTGAAATTCTTAGAATCTCTGACACTCGGTATGTTATCTATTGGCGGTTACAAGCTTTTCAAATTTTTGACAAGAGAACGTTCCTGA","protein_sequence":"MSESVAIIGAGLVGCLAALAFSKEGYNVTLYDFRQDPRLDTTKNKNLKSINLAISARGIDALKSIDPDACEHILQDMIPMKGRMIHDLKGRQESQLYGLHGEAINSINRSVLNNSLLDELEKSTTELKFGHKLVKIEWTDDKQICHFAIGEDLKTPHTEKYDFVIGCDGAYSATRSQMQRKVEMDFSQEYMNLRYIELYIPPTEEFKPNYGGNFAIAPDHLHIWPRHKFMLIALANSDGSFTSTFFGSKDQISDLITSKSRVREFLIENFPDIINIMDLDDAVKRFITYPKESLVCVNCKPYDVPGGKAILLGDAAHAMVPFYGQGMNCGFEDVRILMALLKKHSGDRSRAFTEYTQTRHKDLVSITELAKRNYKEMSHDVTSKRFLLRKKLDALFSIIMKDKWIPLYTMISFRSDISYSRALERAGKQTRILKFLESLTLGMLSIGGYKLFKFLTRERS"},{"created_at":"2011-05-26T19:30:07.000Z","updated_at":"2011-07-22T17:53:45.000Z","name":"Kynureninase","uniprot_id":"Q05979","uniprot_name":"KYNU_YEAST","enzyme":true,"transporter":false,"gene_name":"BNA5","num_residues":453,"molecular_weight":"51031.60156","theoretical_pi":"4.94","general_function":"Involved in metabolic process","specific_function":"Catalyzes the cleavage of L-kynurenine (L-Kyn) and L-3- hydroxykynurenine (L-3OHKyn) into anthranilic acid (AA) and 3- hydroxyanthranilic acid (3-OHAA), respectively","reactions":[{"id":1167,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1683,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2572,"direction":"\u003e","locations":"Cytoplasm. Nucleus","altext":"L-kynurenine + H(2)O = anthranilate + L-alanine.","export":false,"pw_reaction_id":null,"source":null},{"id":2573,"direction":"\u003e","locations":"Cytoplasm. Nucleus","altext":"L-3-hydroxykynurenine + H(2)O = 3-hydroxyanthranilate + L-alanine.","export":false,"pw_reaction_id":null,"source":null},{"id":4185,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006486","source":"Smpdb"},{"id":4186,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006534","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Nucleus","genbank_gene_id":"U19027","genbank_protein_id":"609377","gene_card_id":"BNA5","chromosome_location":"chromosome 12","locus":"YLR231C","synonyms":["Biosynthesis of nicotinic acid protein 5","L-kynurenine hydrolase"],"enzyme_classes":["3.7.1.3"],"go_classes":[{"category":"Component","description":" cell part"},{"category":"Component","description":" intracellular part"},{"category":"Component","description":" cytoplasm"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" pyridoxal phosphate binding"},{"category":"Function","description":" hydrolase activity, acting on acid carbon-carbon bonds"},{"category":"Function","description":" hydrolase activity, acting on acid carbon-carbon bonds, in ketonic substances"},{"category":"Function","description":" kynureninase activity"},{"category":"Function","description":" binding"},{"category":"Process","description":" cofactor metabolic process"},{"category":"Process","description":" coenzyme metabolic process"},{"category":"Process","description":" coenzyme biosynthetic process"},{"category":"Process","description":" pyridine nucleotide biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nicotinamide nucleotide biosynthetic process"},{"category":"Process","description":" NAD biosynthetic process"},{"category":"Process","description":" cellular amino acid derivative metabolic process"},{"category":"Process","description":" cellular biogenic amine metabolic process"},{"category":"Process","description":" indolalkylamine metabolic process"},{"category":"Process","description":" tryptophan metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" tryptophan catabolic process"}],"pfams":[{"name":"Aminotran_5","identifier":"PF00266"}],"pathways":[{"name":"Tryptophan metabolism","kegg_map_id":"00380"},{"name":"NAD metabolism","kegg_map_id":null}],"gene_sequence":"ATGGAGAAAGCTTTGGAATTAGACGGAGAATATCCGGAATCTCTGAGGGATGAATTCAACATCCCTACATTTAAATCCATGGGACTATCGTCCGACGATAAGCCTGTGACGTACTTATGCGGGAATTCTTTAGGTTTGATGCCGAAGTCAACTAGGAATTCAATTAATGCTGAGCTAGATGCGTGGAGCGATTGTGCTGTGGAATCGCATTTCAAACATCCTGAAGAAGCCAGAGGAAAGGTGCCTTGGGTCAGCATTGACTTACCTATTCTTCCACTACTAGCCCCCATCGTGGGTGCTCAAGAAAATGAAGTTGCAGTAATGAATAGTCTCACTGCAAATTTGAATTCATTGTTAATTACGTTTTATAAACCTACTGAGAAAAGATTCAAGATCCTTTTTGAAAAGGGCTCCTTTCCATCAGACTATTATGCTTTCTACAACCAGTGCAAAATTCATGGAATTTCGGAACCTGAGAATGTTTTTATTCAGATCGAGCCACGCGAGGGAGAGACTTATATCAGAACTCAAGATATCCTGGATACCATAGAGGTAAATCAAGATGAATTGGCGCTGGTCTGTTTGTCAGGTGTTCAGTATTACACGGGGCAATATTTCGATATTGGCCGAATCACCTCATTTGCCCACCAATTCCCCGACATATTGGTTGGATGGGATTTAGCACACGCTGTAGGGAACGTCCCATTGCAACTTCATGATTGGGGTGTTGACTTTGCCTGTTGGTGTTCTTACAAGTACTTGAATGCCGGGCCTGGTGGAATTGGTGGCTTATTTGTCCACTCGAAGCATACTAAACCAGACCCTGCTAAGGAAAGTTTGCCAAGATTAGCTGGTTGGTGGGGCAATGATCCTGCTAAGCGATTTCAAATGCTGGAAGTATTCGAGCCGATTCCAGGAGCATTGGGATTCAGGCAATCTAATCCAAGCGTTATTGACACAGTGGCATTGAGAAGTTCATTGGAATTATTTGCGAAGTTTAATGGTATTAATGAAGTTCGTAAAAGATCGTTGTTGCTGACGAACTATATGACGGAACTGTTGGAAGCCTCCAAGTATTACAAACACCCTTTAAGGATCGAGAAATTACCATGTTTTTTTACAATATTAACTCCAACAAGCACAGATGAAGAACATGGCGCCCAATTGTCACTTTACTTCGATTCTGACACTGGAAAAGAGGATATTATGCCCAAAGTTTTCCAATATTTGCATGACCATGGTGTCATTGGCGATGCAAGAAGACCAAACGTAATTAGATTGGCTCCTGCTCCCTTATATAATACATTTTCAGATGTATACATTGCGGTGAATGCACTAAATGAGGCGATGGATAAGTTGTAG","protein_sequence":"MEKALELDGEYPESLRDEFNIPTFKSMGLSSDDKPVTYLCGNSLGLMPKSTRNSINAELDAWSDCAVESHFKHPEEARGKVPWVSIDLPILPLLAPIVGAQENEVAVMNSLTANLNSLLITFYKPTEKRFKILFEKGSFPSDYYAFYNQCKIHGISEPENVFIQIEPREGETYIRTQDILDTIEVNQDELALVCLSGVQYYTGQYFDIGRITSFAHQFPDILVGWDLAHAVGNVPLQLHDWGVDFACWCSYKYLNAGPGGIGGLFVHSKHTKPDPAKESLPRLAGWWGNDPAKRFQMLEVFEPIPGALGFRQSNPSVIDTVALRSSLELFAKFNGINEVRKRSLLLTNYMTELLEASKYYKHPLRIEKLPCFFTILTPTSTDEEHGAQLSLYFDSDTGKEDIMPKVFQYLHDHGVIGDARRPNVIRLAPAPLYNTFSDVYIAVNALNEAMDKL"}]}