{"ymdb_id":"YMDB00725","created_at":"2011-05-29T18:46:54.000Z","updated_at":"2016-09-08T18:35:49.000Z","name":"N-Formyl-L-kynurenine","cas":"1022-31-7","state":"Solid","melting_point":null,"description":"N-Formyl-L-kynurenine is a formylated derivative of kynurenine. It is derived from L-tryptophan in the first step of 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":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"30249","hmdb_id":"HMDB01200","kegg_id":"C02700","pubchem_id":"25202092","cs_id":"388843","foodb_id":null,"wikipedia_link":"N'-Formylkynurenine","biocyc_id":"N-FORMYLKYNURENINE","iupac":"(2S)-2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid","traditional_iupac":"N'-formylkynurenine","logp":"-1.8897022185097685","pka":"13.571277072537978","alogps_solubility":"1.05e+00 g/l","alogps_logp":"-1.85","alogps_logs":"-2.35","acceptor_count":"5","donor_count":"3","rotatable_bond_count":"5","polar_surface_area":"109.49000000000001","refractivity":"60.722300000000004","polarizability":"22.939359210596578","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"8.964484139041431","pka_strongest_acidic":"1.6486962765013677","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["3-(2-formamidobenzoyl)-L-alanine","3-(N-formylanthraniloyl)-Alanine","alpha-amino-2-(formylamino)-gamma-oxo-Benzenebutanoate","alpha-amino-2-(formylamino)-gamma-oxo-Benzenebutanoic acid","Formylkynurenine","L-Formylkynurenine","N-Formyl-L-kynurenine","N-Formylkynurenine","N'-formyl-Kynurenine","N'-Formylkynurenine"],"pathways":[{"name":"Tryptophan metabolism","kegg_map_id":"00380"},{"name":"NAD metabolism","kegg_map_id":null}],"growth_conditions":[],"references":[{"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":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":"2011-05-24T19:55:26.000Z","updated_at":"2011-05-27T14:55:59.000Z","name":"Probable kynurenine--oxoglutarate transaminase BNA3","uniprot_id":"P47039","uniprot_name":"BNA3_YEAST","enzyme":true,"transporter":false,"gene_name":"BNA3","num_residues":444,"molecular_weight":"50081.89844","theoretical_pi":"6.53","general_function":"Involved in 1-aminocyclopropane-1-carboxylate synthase activity","specific_function":"Catalyzes the irreversible transamination of the L- tryptophan metabolite L-kynurenine to form kynurenic acid (KA)","reactions":[{"id":1756,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2282,"direction":"\u003e","locations":"Cytoplasm. Mitochondrion","altext":"L-kynurenine + 2-oxoglutarate = 4-(2-aminophenyl)-2,4-dioxobutanoate + L-glutamate.","export":false,"pw_reaction_id":null,"source":null},{"id":3723,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006249","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Mitochondrion","genbank_gene_id":"Z49335","genbank_protein_id":"1008205","gene_card_id":"BNA3","chromosome_location":"chromosome 10","locus":"YJL060W","synonyms":["Biosynthesis of nicotinic acid protein 3","Kynurenine aminotransferase"],"enzyme_classes":["2.6.1.7"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" binding"},{"category":"Function","description":" transferase activity, transferring nitrogenous groups"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" pyridoxal phosphate binding"},{"category":"Function","description":" carbon-sulfur lyase activity"},{"category":"Function","description":" 1-aminocyclopropane-1-carboxylate synthase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" lyase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" biosynthetic process"}],"pfams":[{"name":"Aminotran_1_2","identifier":"PF00155"}],"pathways":[{"name":"Tryptophan metabolism","kegg_map_id":"00380"},{"name":"L-alanine metabolism","kegg_map_id":null}],"gene_sequence":"ATGAAACAACGATTCATTCGTCAATTTACGAACCTAATGTCTACTTCGAGACCGAAAGTTGTTGCCAACAAATATTTCACTTCTAACACTGCCAAAGATGTTTGGTCGCTAACCAATGAAGCCGCTGCAAAAGCTGCCAATAACTCCAAAAACCAAGGCCGTGAACTTATTAATTTAGGCCAAGGCTTTTTTTCATATTCCCCTCCTCAATTCGCCATTAAGGAGGCTCAGAAAGCCCTAGACATTCCAATGGTCAATCAATATTCTCCAACTAGAGGTCGACCTTCATTAATTAATTCCTTGATTAAGTTGTATTCTCCTATTTATAACACAGAATTGAAAGCGGAAAATGTTACCGTAACAACAGGTGCCAATGAAGGTATACTTTCTTGCTTGATGGGGCTTTTGAACGCTGGCGACGAGGTTATTGTTTTTGAACCTTTCTTTGACCAATATATTCCAAATATCGAACTTTGCGGTGGTAAAGTTGTTTACGTCCCCATAAATCCTCCAAAGGAATTGGATCAAAGGAATACTAGAGGTGAAGAATGGACCATTGACTTTGAGCAGTTCGAAAAAGCGATTACATCCAAGACAAAAGCTGTCATTATCAATACCCCTCACAACCCAATTGGTAAAGTTTTCACGCGCGAGGAATTAACCACTTTAGGTAACATTTGCGTCAAGCACAACGTTGTGATTATATCTGATGAAGTCTATGAACACCTTTACTTCACTGATTCTTTCACTAGAATTGCCACACTCTCTCCAGAAATTGGGCAACTAACCTTAACGGTCGGTTCTGCCGGTAAATCGTTTGCTGCTACTGGTTGGAGAATTGGTTGGGTCTTATCCTTGAACGCAGAGTTGTTAAGTTATGCAGCTAAGGCACATACAAGAATTTGTTTTGCATCTCCATCCCCTCTACAGGAAGCTTGTGCAAACTCTATTAACGACGCTTTAAAAATTGGGTATTTTGAAAAAATGAGACAGGAATATATCAACAAATTCAAAATTTTCACATCGATCTTTGATGAATTGGGACTACCATATACAGCTCCAGAGGGTACATATTTTGTCCTCGTTGATTTCTCTAAAGTGAAAATTCCCGAGGACTATCCCTACCCAGAGGAGATCCTGAATAAGGGAAAAGATTTTCGCATTTCTCACTGGTTGATCAATGAATTAGGTGTGGTTGCCATTCCACCAACTGAATTCTATATCAAAGAGCACGAAAAGGCTGCTGAGAATTTGTTAAGGTTTGCAGTTTGTAAAGATGATGCTTATCTAGAAAATGCCGTAGAGAGATTAAAACTACTCAAGGACTACTTATAA","protein_sequence":"MKQRFIRQFTNLMSTSRPKVVANKYFTSNTAKDVWSLTNEAAAKAANNSKNQGRELINLGQGFFSYSPPQFAIKEAQKALDIPMVNQYSPTRGRPSLINSLIKLYSPIYNTELKAENVTVTTGANEGILSCLMGLLNAGDEVIVFEPFFDQYIPNIELCGGKVVYVPINPPKELDQRNTRGEEWTIDFEQFEKAITSKTKAVIINTPHNPIGKVFTREELTTLGNICVKHNVVIISDEVYEHLYFTDSFTRIATLSPEIGQLTLTVGSAGKSFAATGWRIGWVLSLNAELLSYAAKAHTRICFASPSPLQEACANSINDALKIGYFEKMRQEYINKFKIFTSIFDELGLPYTAPEGTYFVLVDFSKVKIPEDYPYPEEILNKGKDFRISHWLINELGVVAIPPTEFYIKEHEKAAENLLRFAVCKDDAYLENAVERLKLLKDYL"},{"created_at":"2011-05-27T02:16:50.000Z","updated_at":"2011-05-27T15:01:17.000Z","name":"Indoleamine 2,3-dioxygenase family protein","uniprot_id":"P47125","uniprot_name":"I23O_YEAST","enzyme":true,"transporter":false,"gene_name":"BNA2","num_residues":453,"molecular_weight":"50774.80078","theoretical_pi":"8.11","general_function":"Involved in heme binding","specific_function":"Required for biosynthesis of nicotinic acid","reactions":[{"id":1707,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":4189,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006489","source":"Smpdb"},{"id":4190,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006533","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"L47993","genbank_protein_id":"1019699","gene_card_id":"BNA2","chromosome_location":"chromosome 10","locus":"YJR078W","synonyms":["Biosynthesis of nicotinic acid protein 2"],"enzyme_classes":["1.13.11.-"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transition metal ion binding"},{"category":"Function","description":" iron ion binding"},{"category":"Function","description":" heme binding"},{"category":"Function","description":" binding"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" metal ion binding"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"IDO","identifier":"PF01231"}],"pathways":[{"name":"NAD metabolism","kegg_map_id":null},{"name":"Tryptophan metabolism","kegg_map_id":"00380"}],"gene_sequence":"ATGAACAACACTTCCATAACCGGACCACAAGTACTACATAGAACAAAAATGAGACCACTACCAGTGCTAGAAAAATACTGTATCTCGCCACATCATGGGTTTTTGGACGACCGGTTACCCTTGACCAGACTGAGCAGCAAGAAATATATGAAATGGGAAGAAATCGTTGCTGACCTGCCCTCTCTTTTGCAAGAGGATAACAAGGTGCGGAGCGTCATCGATGGGCTGGATGTCTTGGACTTGGATGAGACGATCTTGGGCGACGTCAGGGAGCTCAGAAGAGCATATTCCATTTTGGGGTTTATGGCGCACGCTTATATTTGGGCCAGCGGAACTCCCCGGGATGTATTACCGGAGTGTATTGCAAGGCCACTGTTGGAGACAGCACATATTTTGGGTGTGCCACCGTTAGCTACGTACTCCTCGTTGGTGTTATGGAACTTCAAAGTGACCGACGAGTGCAAGAAAACGGAAACCGGGTGTTTGGACTTGGAAAATATTACAACGATAAACACATTTACGGGAACCGTTGACGAAAGTTGGTTTTATCTGGTCAGCGTGCGGTTTGAAAAAATCGGCAGCGCTTGTTTAAACCATGGGTTGCAGATATTGAGAGCCATTAGAAGCGGTGATAAAGGAGACGCTAACGTGATAGACGGGTTGGAGGGCTTGGCTGCAACGATCGAAAGGTTATCGAAAGCCTTGATGGAAATGGAGCTTAAGTGTGAACCCAATGTATTTTATTTCAAGATAAGACCATTTTTGGCCGGGTGGACGAATATGTCGCATATGGGGTTACCACAGGGTGTTAGGTATGGAGCGGAAGGACAGTATCGGATCTTTTCTGGCGGGTCCAATGCGCAAAGCTCGTTGATACAGACACTGGACATCCTTTTGGGTGTGAAACACACTGCGAATGCTGCGCATTCTTCCCAAGGAGACAGCAAGATCAATTATCTGGACGAAATGAAAAAATACATGCCAAGAGAACATCGTGAATTTCTTTACCATTTGGAATCGGTATGTAATATTCGCGAATACGTTTCTCGTAACGCTTCTAACCGTGCATTGCAAGAGGCCTATGGACGTTGCATTTCCATGCTGAAAATATTTAGAGATAACCACATTCAAATTGTTACCAAGTACATTATTTTGCCCTCCAATTCAAAGCAACACGGCTCCAATAAGCCGAACGTACTAAGTCCAATCGAGCCCAATACCAAAGCAAGTGGTTGTTTAGGGCATAAAGTTGCCTCATCTAAGACTATCGGAACCGGTGGTACAAGATTAATGCCCTTCTTAAAGCAGTGCAGGGACGAGACTGTCGCCACTGCGGACATTAAAAATGAAGATAAAAATTGA","protein_sequence":"MNNTSITGPQVLHRTKMRPLPVLEKYCISPHHGFLDDRLPLTRLSSKKYMKWEEIVADLPSLLQEDNKVRSVIDGLDVLDLDETILGDVRELRRAYSILGFMAHAYIWASGTPRDVLPECIARPLLETAHILGVPPLATYSSLVLWNFKVTDECKKTETGCLDLENITTINTFTGTVDESWFYLVSVRFEKIGSACLNHGLQILRAIRSGDKGDANVIDGLEGLAATIERLSKALMEMELKCEPNVFYFKIRPFLAGWTNMSHMGLPQGVRYGAEGQYRIFSGGSNAQSSLIQTLDILLGVKHTANAAHSSQGDSKINYLDEMKKYMPREHREFLYHLESVCNIREYVSRNASNRALQEAYGRCISMLKIFRDNHIQIVTKYIILPSNSKQHGSNKPNVLSPIEPNTKASGCLGHKVASSKTIGTGGTRLMPFLKQCRDETVATADIKNEDKN"},{"created_at":"2011-05-27T05:24:20.000Z","updated_at":"2011-05-27T15:01:24.000Z","name":"Probable kynurenine formamidase","uniprot_id":"Q04066","uniprot_name":"BNA7_YEAST","enzyme":true,"transporter":false,"gene_name":"BNA7","num_residues":261,"molecular_weight":"29991.0","theoretical_pi":"4.98","general_function":"Involved in hydrolase activity","specific_function":"Catalyzes the hydrolysis of N-formyl-L-kynurenine to L- kynurenine, the second step in the conversion of tryptophan to nicotinic acid, NAD(H) and NADP(H)","reactions":[{"id":2770,"direction":"\u003e","locations":"Cytoplasmic","altext":"N-formyl-L-kynurenine + H(2)O = formate + L-kynurenine.","export":false,"pw_reaction_id":null,"source":null},{"id":4188,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006488","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1VKH","cellular_location":"Cytoplasmic","genbank_gene_id":"U33007","genbank_protein_id":"927719","gene_card_id":"BNA7","chromosome_location":"chromosome 4","locus":"YDR428C","synonyms":["Biosynthesis of nicotinic acid protein 7","Probable N-formylkynurenine formamidase"],"enzyme_classes":["3.5.1.9"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"Abhydrolase_3","identifier":"PF07859"}],"pathways":[{"name":"Tryptophan metabolism","kegg_map_id":"00380"},{"name":"Glyoxylate and dicarboxylate metabolism","kegg_map_id":"00630"},{"name":"NAD metabolism","kegg_map_id":null}],"gene_sequence":"ATGTCAAATACCGTAAGAGCCATTTCACCAGATATAACACTATTCAACAAGACATTGACATTCCAAGAAATCTCACAAAACACTAGAGAGGCTGTCATATACATTCATGGAGGTGCATGGAACGATCCTGAGAATACGCCCAATGATTTTAATCAATTAGCCAATACCATCAAATCAATGGATACTGAGTCAACGGTTTGTCAATACTCTATAGAATACAGGTTATCACCAGAGATCACAAATCCAAGAAACTTATATGATGCTGTGTCAAATATAACAAGGCTTGTTAAAGAAAAGGGATTAACGAACATTAATATGGTGGGACATTCCGTTGGAGCTACCTTTATTTGGCAGATATTAGCTGCACTCAAAGATCCTCAAGAAAAAATGAGTGAAGCGCAATTGCAAATGTTGGGACTTTTGCAGATCGTGAAGAGAGTATTTCTATTGGATGGTATATACTCGTTAAAGGAACTGTTGGTAGAATACCCAGAGTATGATTGTTTTACAAGACTTGCCTTCCCTGATGGTATTCAAATGTACGAGGAAGAGCCCTCGAGAGTAATGCCTTACGTGAAGAAAGCCCTTTCTCGCTTCAGTATTGATATGCACCTAGTGCATTCTTATAGCGACGAGTTATTAACGTTAAGACAAACTAATTGTTTAATTTCTTGTCTTCAGGATTATCAGTTAAGTTTCAAGTTGTATTTGGACGATTTGGGTTTGCATAATGATGTTTATAAGAATGGTAAAGTTGCGAAGTATATTTTTGACAATATTTGTTGA","protein_sequence":"MSNTVRAISPDITLFNKTLTFQEISQNTREAVIYIHGGAWNDPENTPNDFNQLANTIKSMDTESTVCQYSIEYRLSPEITNPRNLYDAVSNITRLVKEKGLTNINMVGHSVGATFIWQILAALKDPQEKMSEAQLQMLGLLQIVKRVFLLDGIYSLKELLVEYPEYDCFTRLAFPDGIQMYEEEPSRVMPYVKKALSRFSIDMHLVHSYSDELLTLRQTNCLISCLQDYQLSFKLYLDDLGLHNDVYKNGKVAKYIFDNIC"}]}