{"ymdb_id":"YMDB16142","created_at":"2016-09-12T18:15:02.000Z","updated_at":"2016-10-17T22:34:41.000Z","name":"D-threo-Isocitric acid","cas":null,"state":"Solid","melting_point":null,"description":null,"experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid","traditional_iupac":"threo-DS(+)-isocitrate","logp":"-1.4463282496666667","pka":"4.676758742531204","alogps_solubility":"5.25e+01 g/l","alogps_logp":"-0.35","alogps_logs":"-0.56","acceptor_count":"7","donor_count":"4","rotatable_bond_count":"5","polar_surface_area":"132.13000000000002","refractivity":"35.716100000000004","polarizability":"15.536697322949372","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"-4.021353286822632","pka_strongest_acidic":"3.068323851495592","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[{"name":"Glyoxylate cycle","kegg_map_id":null}],"growth_conditions":[],"references":[],"proteins":[{"created_at":"2011-05-24T20:37:59.000Z","updated_at":"2011-07-22T17:54:31.000Z","name":"Aconitate hydratase, mitochondrial","uniprot_id":"P19414","uniprot_name":"ACON_YEAST","enzyme":true,"transporter":false,"gene_name":"ACO1","num_residues":778,"molecular_weight":"85367.5","theoretical_pi":"8.24","general_function":"Involved in metabolic process","specific_function":"Required for growth on nonfermentable carbon sources and for biosynthesis of glutamate","reactions":[{"id":1391,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1412,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2332,"direction":"\u003e","locations":"Mitochondrion. Cytoplasm.","altext":"Citrate = isocitrate.","export":false,"pw_reaction_id":null,"source":null},{"id":4168,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006466","source":"Smpdb"},{"id":4169,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006467","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion. Cytoplasm.","genbank_gene_id":"U17243","genbank_protein_id":"596052","gene_card_id":"ACO1","chromosome_location":"chromosome 12","locus":"YLR304C","synonyms":["Aconitase","Citrate hydro-lyase"],"enzyme_classes":["4.2.1.3"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" 4 iron, 4 sulfur cluster binding"},{"category":"Function","description":" aconitate hydratase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" metal cluster binding"},{"category":"Function","description":" iron-sulfur cluster binding"},{"category":"Function","description":" carbon-oxygen lyase activity"},{"category":"Function","description":" hydro-lyase activity"},{"category":"Process","description":" acetyl-CoA metabolic process"},{"category":"Process","description":" acetyl-CoA catabolic process"},{"category":"Process","description":" tricarboxylic acid cycle"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cofactor metabolic process"},{"category":"Process","description":" coenzyme metabolic process"}],"pfams":[{"name":"Aconitase","identifier":"PF00330"},{"name":"Aconitase_C","identifier":"PF00694"}],"pathways":[{"name":"Citrate cycle (TCA cycle)","kegg_map_id":"00020"},{"name":"Glyoxylate and dicarboxylate metabolism","kegg_map_id":"00630"},{"name":"Glyoxylate cycle","kegg_map_id":null}],"gene_sequence":"ATGCTGTCTGCACGTTCTGCCATCAAGAGACCCATTGTTCGTGGTCTTGCGACAGTCTCCAACTTGACTAGAGATTCAAAAGTCAACCAAAACTTATTAGAAGATCATTCTTTTATTAACTACAAGCAGAATGTGGAAACGCTGGATATCGTAAGAAAAAGATTAAACAGGCCATTTACCTACGCGGAAAAGATTTTGTACGGTCACTTGGATGACCCTCATGGTCAAGATATTCAGAGAGGTGTTTCATACCTAAAATTAAGACCAGATCGTGTTGCCTGTCAAGATGCTACTGCTCAAATGGCTATTTTACAATTTATGTCCGCTGGTTTACCACAGGTTGCTAAGCCAGTCACTGTCCACTGTGACCATTTGATTCAAGCACAAGTTGGTGGTGAAAAAGATTTGAAGAGAGCTATAGATCTAAACAAGGAAGTTTATGATTTCTTGGCCTCTGCCACTGCGAAATATAACATGGGTTTCTGGAAGCCAGGTTCCGGTATCATTCACCAAATTGTTCTGGAAAACTACGCTTTCCCAGGTGCTTTGATCATTGGTACTGACTCCCATACACCAAATGCTGGTGGTTTAGGTCAATTGGCTATTGGTGTTGGTGGTGCTGATGCCGTTGATGTTATGGCAGGTCGTCCATGGGAATTGAAGGCTCCAAAGATCTTAGGTGTTAAGTTGACTGGTAAGATGAACGGTTGGACTTCTCCAAAGGATATTATTTTGAAATTGGCTGGTATCACAACTGTCAAAGGTGGTACTGGTAAAATTGTTGAATATTTCGGTGATGGTGTTGACACCTTCTCCGCTACTGGTATGGGTACCATTTGTAATATGGGTGCTGAAATCGGTGCTACCACATCTGTTTTCCCATTCAACAAATCTATGATTGAATATTTGGAAGCAACTGGTCGTGGTAAGATCGCTGACTTTGCTAAATTATACCACAAGGACCTATTATCTGCTGATAAGGATGCTGAATACGATGAGGTCGTCGAAATTGACTTGAACACTCTGGAACCATACATCAATGGGCCATTTACCCCCGATTTGGCTACTCCAGTTTCTAAGATGAAGGAAGTTGCTGTTGCTAATAACTGGCCATTGGATGTCAGAGTCGGTTTGATCGGTTCTTGTACCAATTCCTCTTATGAAGATATGTCTCGTTCAGCATCCATTGTCAAGGATGCTGCTGCTCATGGTTTGAAATCCAAGACCATTTTCACTGTTACTCCAGGTTCTGAACAAATCAGAGCCACTATTGAACGTGATGGCCAATTAGAAACCTTCAAAGAATTTGGTGGTATCGTTTTGGCAAACGCCTGTGGCCCATGTATTGGTCAATGGGATCGTAGAGATATCAAGAAAGGTGACAAGAATACTATCGTTTCCTCTTACAACAGAAATTTCACTTCTAGAAATGATGGTAACCCACAAACTCATGCTTTTGTTGCATCTCCAGAATTAGTAACTGCGTTCGCCATTGCGGGTGATTTGAGATTCAACCCTCTAACAGACAAATTAAAGGACAAGGATGGTAATGAGTTCATGTTGAAACCACCACATGGTGATGGTTTGCCTCAAAGAGGTTATGATGCTGGTGAGAACACTTACCAAGCTCCACCTGCAGACCGTAGCACCGTTGAAGTTAAAGTTTCTCCAACTTCAGACCGTCTACAACTGTTGAAACCATTCAAACCTTGGGATGGTAAGGATGCTAAAGACATGCCAATCTTGATTAAGGCCGTCGGTAAGACAACTACTGATCATATTTCTATGGCTGGTCCATGGTTGAAATACAGAGGTCATTTAGAAAACATTTCTAATAACTATATGATTGGTGCTATTAATGCTGAAAACAAGAAGGCTAACTGTGTTAAAAATGTATATACTGGTGAATACAAAGGTGTTCCAGACACTGCTAGAGATTACAGAGACCAAGGTATCAAGTGGGTTGTTATTGGTGATGAAAACTTTGGTGAAGGTTCCTCTCGTGAACACGCTGCTTTGGAACCAAGATTCTTGGGCGGTTTCGCTATCATCACAAAGTCTTTCGCTCGTATCCATGAAACTAACTTGAAAAAACAAGGTCTATTGCCATTGAACTTCAAGAACCCAGCTGACTATGACAAGATCAACCCTGATGACAGAATCGATATTCTGGGTCTAGCTGAATTGGCTCCAGGTAAGCCTGTAACAATGAGAGTTCATCCAAAGAATGGTAAGCCATGGGATGCTGTGTTGACCCATACTTTCAACGATGAGCAAATTGAATGGTTCAAATATGGTTCTGCCTTAAATAAAATTAAGGCCGATGAGAAGAAATAA","protein_sequence":"MLSARSAIKRPIVRGLATVSNLTRDSKVNQNLLEDHSFINYKQNVETLDIVRKRLNRPFTYAEKILYGHLDDPHGQDIQRGVSYLKLRPDRVACQDATAQMAILQFMSAGLPQVAKPVTVHCDHLIQAQVGGEKDLKRAIDLNKEVYDFLASATAKYNMGFWKPGSGIIHQIVLENYAFPGALIIGTDSHTPNAGGLGQLAIGVGGADAVDVMAGRPWELKAPKILGVKLTGKMNGWTSPKDIILKLAGITTVKGGTGKIVEYFGDGVDTFSATGMGTICNMGAEIGATTSVFPFNKSMIEYLEATGRGKIADFAKLYHKDLLSADKDAEYDEVVEIDLNTLEPYINGPFTPDLATPVSKMKEVAVANNWPLDVRVGLIGSCTNSSYEDMSRSASIVKDAAAHGLKSKTIFTVTPGSEQIRATIERDGQLETFKEFGGIVLANACGPCIGQWDRRDIKKGDKNTIVSSYNRNFTSRNDGNPQTHAFVASPELVTAFAIAGDLRFNPLTDKLKDKDGNEFMLKPPHGDGLPQRGYDAGENTYQAPPADRSTVEVKVSPTSDRLQLLKPFKPWDGKDAKDMPILIKAVGKTTTDHISMAGPWLKYRGHLENISNNYMIGAINAENKKANCVKNVYTGEYKGVPDTARDYRDQGIKWVVIGDENFGEGSSREHAALEPRFLGGFAIITKSFARIHETNLKKQGLLPLNFKNPADYDKINPDDRIDILGLAELAPGKPVTMRVHPKNGKPWDAVLTHTFNDEQIEWFKYGSALNKIKADEKK"},{"created_at":"2011-05-24T20:39:30.000Z","updated_at":"2011-05-27T14:56:01.000Z","name":"Isocitrate lyase","uniprot_id":"P28240","uniprot_name":"ACEA_YEAST","enzyme":true,"transporter":false,"gene_name":"ICL1","num_residues":557,"molecular_weight":"62408.30078","theoretical_pi":"6.37","general_function":"Involved in isocitrate lyase activity","specific_function":"Catalyzes the formation of succinate and glyoxylate from isocitrate, a key step of the glyoxylate cycle, which operates as an anaplerotic route for replenishing the tricarboxylic acid cycle. Required for growth on ethanol or acetate, but dispensable when fermentable carbon sources are available. Acts also on 2- methylisocitrate","reactions":[{"id":1677,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2333,"direction":"\u003e","locations":"Cytoplasm","altext":"Isocitrate = succinate + glyoxylate.","export":false,"pw_reaction_id":null,"source":null},{"id":4170,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006468","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm","genbank_gene_id":"U18813","genbank_protein_id":"603301","gene_card_id":"ICL1","chromosome_location":"chromosome 5","locus":"YER065C","synonyms":["ICL","Threo-D(S)-isocitrate glyoxylate-lyase","Isocitrase","Isocitratase"],"enzyme_classes":["4.1.3.1"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" oxo-acid-lyase activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Function","description":" isocitrate lyase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" organic acid metabolic process"},{"category":"Process","description":" oxoacid metabolic process"},{"category":"Process","description":" carboxylic acid metabolic process"}],"pfams":[{"name":"ICL","identifier":"PF00463"}],"pathways":[{"name":"Glyoxylate and dicarboxylate metabolism","kegg_map_id":"00630"},{"name":"Glyoxylate cycle","kegg_map_id":null}],"gene_sequence":"ATGCCTATCCCCGTTGGAAATACGAAGAACGATTTTGCAGCTTTACAAGCAAAACTAGATGCAGATGCTGCCGAAATTGAGAAATGGTGGTCTGACTCACGTTGGAGTAAGACTAAGAGAAATTATTCAGCCAGAGATATTGCTGTTAGACGCGGGACATTCCCACCAATCGAATACCCATCTTCGGTCATGGCCAGAAAATTATTCAAGGTATTAGAGAAGCATCACAATGAGGGTACAGTCTCTAAAACTTTCGGTGCCCTAGATCCTGTCCAGATTTCTCAAATGGCAAAATACTTAGACACAATCTATATTTCTGGTTGGCAGTGTTCATCAACTGCTTCCACCTCAAATGAACCTGGTCCAGACTTAGCTGATTATCCAATGGACACCGTTCCAAACAAAGTGGAACATTTGTTCAAGGCCCAATTGTTTCACGACAGAAAACAACTAGAGGCACGGTCAAAGGCTAAATCTCAGGAAGAACTCGATGAGATGGGTGCCCCAATTGACTACCTAACACCAATTGTCGCTGATGCAGACGCAGGCCACGGCGGTTTAACCGCAGTCTTCAAATTGACCAAGATGTTCATTGAGCGTGGTGCTGCTGGGATCCACATGGAAGACCAGACATCTACAAATAAGAAATGTGGGCATATGGCAGGAAGATGTGTTATACCCGTTCAGGAACATGTTAACAGATTGGTGACTATTAGAATGTGTGCTGATATCATGCATTCTGACTTAATTGTCGTTGCTAGGACTGATTCAGAAGCAGCCACTTTGATTAGCTCAACCATCGATACCAGAGATCATTATTTCATTGTCGGTGCCACCAATCCAAATATCGAGCCATTTGCCGAAGTTTTAAATGATGCCATCATGAGTGGTGCATCAGGACAAGAACTAGCTGACATTGAACAAAAATGGTGTAGAGACGCTGGACTCAAGTTATTCCATGAAGCCGTCATTGATGAAATTGAAAGATCAGCCCTGTCAAATAAGCAAGAATTGATTAAGAAATTCACCTCTAAAGTGGGTCCATTGACTGAAACATCCCACAGAGAAGCCAAGAAGCTCGCTAAAGAAATTCTTGGCCACGAAATTTTCTTCGACTGGGAGCTACCACGCGTAAGGGAAGGGTTGTACCGTTACAGAGGTGGGACGCAATGTTCTATCATGAGGGCCCGTGCATTTGCTCCATATGCTGATTTGGTATGGATGGAATCTAACTACCCAGACTTCCAACAGGCCAAGGAGTTTGCAGAAGGTGTTAAAGAGAAATTCCCTGACCAATGGCTAGCTTACAACTTGTCTCCATCCTTTAACTGGCCAAAAGCCATGTCCGTTGATGAACAACACACCTTCATCCAAAGGCTGGGTGATCTAGGTTACATCTGGCAATTTATCACATTGGCCGGTTTACACACTAACGCTTTAGCTGTCCATAACTTCTCTCGTGACTTTGCCAAGGATGGGATGAAAGCTTATGCCCAGAATGTTCAGCAGAGGGAAATGGACGATGGTGTTGATGTGTTGAAACATCAAAAATGGTCTGGTGCGGAGTACATCGATGGGTTATTGAAGTTAGCTCAAGGTGGTGTTAGCGCAACAGCTGCTATGGGAACCGGTGTCACAGAAGATCAATTCAAAGAAAATGGCGTAAAGAAATAG","protein_sequence":"MPIPVGNTKNDFAALQAKLDADAAEIEKWWSDSRWSKTKRNYSARDIAVRRGTFPPIEYPSSVMARKLFKVLEKHHNEGTVSKTFGALDPVQISQMAKYLDTIYISGWQCSSTASTSNEPGPDLADYPMDTVPNKVEHLFKAQLFHDRKQLEARSKAKSQEELDEMGAPIDYLTPIVADADAGHGGLTAVFKLTKMFIERGAAGIHMEDQTSTNKKCGHMAGRCVIPVQEHVNRLVTIRMCADIMHSDLIVVARTDSEAATLISSTIDTRDHYFIVGATNPNIEPFAEVLNDAIMSGASGQELADIEQKWCRDAGLKLFHEAVIDEIERSALSNKQELIKKFTSKVGPLTETSHREAKKLAKEILGHEIFFDWELPRVREGLYRYRGGTQCSIMRARAFAPYADLVWMESNYPDFQQAKEFAEGVKEKFPDQWLAYNLSPSFNWPKAMSVDEQHTFIQRLGDLGYIWQFITLAGLHTNALAVHNFSRDFAKDGMKAYAQNVQQREMDDGVDVLKHQKWSGAEYIDGLLKLAQGGVSATAAMGTGVTEDQFKENGVKK"}]}