{"ymdb_id":"YMDB00010","created_at":"2011-05-29T15:48:07.000Z","updated_at":"2016-09-08T18:34:53.000Z","name":"4-(2-Aminophenyl)-2,4-dioxobutanoic acid","cas":null,"state":"Solid","melting_point":"","description":"4-(2-Aminophenyl)-2,4-dioxobutanoic acid is a substrate for mitochontrail kynurenine/alpha-aminoadipate aminotransferase.","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"Cytoplasm, Mitochondrion","synthesis_reference":null,"chebi_id":"17442","hmdb_id":"HMDB00978","kegg_id":"C01252","pubchem_id":"472","cs_id":"459","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-476","iupac":"4-(2-aminophenyl)-2,4-dioxobutanoic acid","traditional_iupac":"4-(2-aminophenyl)-2,4-dioxobutanoic acid","logp":"0.9954513136686617","pka":"9.780542359456446","alogps_solubility":"5.62e-01 g/l","alogps_logp":"0.91","alogps_logs":"-2.57","acceptor_count":"5","donor_count":"2","rotatable_bond_count":"4","polar_surface_area":"97.46000000000001","refractivity":"52.8513","polarizability":"19.32241758340649","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"3.335078673400071","pka_strongest_acidic":"1.9621909659133543","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["4-(2-aminophenyl)-2,4-dioxo-butanoate","4-(2-aminophenyl)-2,4-dioxo-butanoic acid","4-(2-aminophenyl)-2,4-dioxobutanoate","4-(2-aminophenyl)-2,4-dioxobutanoic acid"],"pathways":[{"name":"Tryptophan metabolism","kegg_map_id":"00380"}],"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."}],"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"}]}