{"ymdb_id":"YMDB00442","created_at":"2011-05-29T18:17:34.000Z","updated_at":"2016-09-12T20:56:43.000Z","name":"2-Isopropylmaleic acid","cas":null,"state":"Solid","melting_point":null,"description":"2-Isopropylmaleic acid is an intermediate in the leucine biosynthesis pathway. In yeast, it is an aluminium binding substance. [Biocyc LEUSYN-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"17275","hmdb_id":null,"kegg_id":"C02631","pubchem_id":"21954611","cs_id":"4444164","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2Z)-2-(propan-2-yl)but-2-enedioic acid","traditional_iupac":"2-isopropylmaleic acid","logp":"1.0862239193333334","pka":"6.0612073811121805","alogps_solubility":"3.64e+00 g/l","alogps_logp":"1.05","alogps_logs":"-1.64","acceptor_count":"4","donor_count":"2","rotatable_bond_count":"3","polar_surface_area":"74.60000000000001","refractivity":"38.113699999999994","polarizability":"15.11437754513191","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":null,"pka_strongest_acidic":"2.7859380991428875","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Isopropylmaleate","2-isopropylmaleic acid","beta-Isopropylmaleate"],"pathways":[{"name":"Valine, leucine and isoleucine biosynthesis","kegg_map_id":"00290"},{"name":"Leucine Biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[{"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":17916978,"citation":"Suzuki, T., Tamura, S., Nakanishi, H., Tashiro, M., Nishizawa, N. K., Yoshimura, E. (2007). \"Reduction of aluminum toxicity by 2-isopropylmalic acid in the budding yeast Saccharomyces cerevisiae.\" Biol Trace Elem Res 120:257-263."}],"proteins":[{"created_at":"2011-05-26T19:31:00.000Z","updated_at":"2011-07-22T17:53:47.000Z","name":"3-isopropylmalate dehydratase","uniprot_id":"P07264","uniprot_name":"LEUC_YEAST","enzyme":true,"transporter":false,"gene_name":"LEU1","num_residues":779,"molecular_weight":"85793.70313","theoretical_pi":"5.69","general_function":"Involved in 3-isopropylmalate dehydratase activity","specific_function":"Catalyzes the isomerization between 2-isopropylmalate and 3-isopropylmalate, via the formation of 2-isopropylmaleate","reactions":[{"id":1147,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1182,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2574,"direction":"\u003e","locations":null,"altext":"(2R,3S)-3-isopropylmalate = (2S)-2-isopropylmaleate + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":2575,"direction":"\u003e","locations":null,"altext":"(2S)-2-isopropylmaleate + H(2)O = (2S)-2-isopropylmalate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"Z72531","genbank_protein_id":"1322463","gene_card_id":"LEU1","chromosome_location":"chromosome 7","locus":"YGL009C","synonyms":["Alpha-IPM isomerase","IPMI","Isopropylmalate isomerase"],"enzyme_classes":["4.2.1.33"],"go_classes":[{"category":"Component","description":" 3-isopropylmalate dehydratase complex"},{"category":"Component","description":" macromolecular complex"},{"category":"Component","description":" protein complex"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" 3-isopropylmalate dehydratase 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":"Function","description":" 4 iron, 4 sulfur cluster binding"},{"category":"Process","description":" leucine metabolic process"},{"category":"Process","description":" leucine biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" cellular amino acid metabolic process"},{"category":"Process","description":" cellular amino acid biosynthetic process"},{"category":"Process","description":" branched chain family amino acid metabolic process"}],"pfams":[{"name":"Aconitase","identifier":"PF00330"},{"name":"Aconitase_C","identifier":"PF00694"}],"pathways":[{"name":"Valine, leucine and isoleucine biosynthesis","kegg_map_id":"00290"},{"name":"Citric Acid Cycle 1434561204","kegg_map_id":null},{"name":"TCA Cycle","kegg_map_id":null}],"gene_sequence":"ATGGTTTACACTCCATCCAAGGGTCCAAGAACTCTTTACGATAAGGTTTTTGATGCACATGTTGTCCATCAAGATGAAAATGGTTCCTTTTTGTTGTATATCGACAGACACTTGGTTCATGAAGTCACCTCTCCACAAGCTTTCGAAGGCCTAGAAAATGCCGGCAGAAAGGTCAGAAGAGTTGATTGTACTCTAGCTACTGTAGATCATAATATTCCAACTGAATCAAGAAAGAATTTCAAATCACTAGACACATTTATCAAGCAAACTGATTCGCGTTTACAAGTCAAAACTTTAGAGAATAATGTTAAACAGTTCGGCGTTCCATATTTCGGTATGAGTGATGCCAGACAAGGTATCGTCCACACCATCGGTCCCGAAGAAGGTTTCACTTTACCAGGTACCACTGTTGTTTGTGGTGACTCTCATACCTCTACTCACGGTGCCTTTGGTTCGCTGGCCTTTGGTATTGGTACTTCTGAAGTTGAACACGTCTTGGCCACTCAAACAATTATCCAAGCTAAATCGAAAAACATGAGAATTACTGTTAATGGTAAGCTATCACCTGGTATCACATCTAAAGATTTGATTTTGTATATTATTGGTCTGATAGGTACTGCAGGTGGTACTGGTTGCGTTATTGAATTCGCAGGTGAAGCCATTGAAGCTCTTTCTATGGAAGCACGTATGTCCATGTGTAACATGGCCATCGAAGCTGGTGCAAGAGCAGGTATGATTAAACCAGACGAAACTACTTTCCAATACACCAAAGGCAGACCTTTGGCTCCAAAAGGTGCCGAATGGGAAAAGGCTGTTGCCTACTGGAAAACTTTGAAAACAGACGAAGGTGCCAAATTTGACCACGAAATCAACATTGAAGCTGTCGACGTGATTCCAACTATTACATGGGGTACTTCTCCTCAAGATGCCTTACCAATTACTGGTTCCGTACCAGATCCAAAAAATGTTACAGACCCAATAAAGAAATCTGGTATGGAAAGAGCCTTAGCCTATATGGGTTTGGAACCTAACACACCGCTAAAGAGCATCAAAGTAGATAAAGTCTTTATTGGATCTTGTACCAATGGCCGTATTGAAGATTTAAGAAGTGCTGCAGCTGTAGTTAGGGGTCAAAAATTGGCTAGTAACATCAAATTAGCTATGGTTGTTCCGGGATCTGGTTTGGTCAAAAAACAAGCCGAAGCAGAAGGTTTGGACAAGATTTTCCAAGAAGCTGGTTTTGAATGGAGAGAAGCTGGTTGTTCAATATGTTTAGGTATGAACCCTGATATTTTGGATGCCTATGAACGTTGTGCTTCTACTTCCAACAGAAATTTCGAAGGTCGTCAAGGTGCCTTGTCTCGTACACATCTAATGTCCCCAGCCATGGCGGCTGCTGCAGGTATCGCAGGTCACTTCGTAGATATTAGAGAATTCGAATATAAGGATCAAGACCAAAGTAGTCCAAAGGTTGAGGTCACTTCCGAAGATGAAAAAGAGCTTGAAAGTGCTGCTTACGATCACGCTGAACCTGTCCAACCCGAAGACGCTCCCCAAGATATTGCCAATGATGAATTAAAAGATATTCCAGTGAAGTCAGATGATACACCTGCTAAACCTAGCTCTTCCGGCATGAAGCCATTTTTGACTTTGGAAGGTATTAGCGCACCATTAGATAAGGCCAATGTTGATACAGACGCTATTATCCCAAAGCAATTTTTAAAGACAATTAAGAGAACGGGTTTGAAAAAAGGGTTGTTTTATGAATGGCGTTTCCGTAAAGACGATCAAGGTAAGGATCAAGAAACCGATTTTGTATTAAATGTTGAACCTTGGAGGGAAGCTGAAATATTGGTTGTTACTGGTGACAATTTCGGATGTGGTTCTTCCAGAGAACACGCACCATGGGCTCTAAAAGACTTTGGTATAAAATCCATCATTGCACCTTCTTACGGTGATATTTTCTACAACAACTCTTTCAAGAACGGCTTATTACCTATTAGATTGGATCAACAAATAATCATTGACAAATTGATCCCTATTGCTAATAAGGGTGGTAAGCTCTGCGTCGATTTACCAAATCAAAAAATTTTGGATTCCGATGGCAATGTGCTCGTTGATCATTTTGAAATAGAACCTTTCAGAAAGCACTGCCTAGTTAACGGTCTTGATGATATTGGTATTACATTGCAAAAGGAAGAATACATTTCCAGATACGAAGCTTTGAGAAGAGAGAAATACTCATTCTTGGAAGGTGGATCAAAATTATTAAAATTTGACAACGTTCCAAAAAGAAAAGCTGTTACAACTACTTTCGATAAAGTCCACCAGGATTGGTAG","protein_sequence":"MVYTPSKGPRTLYDKVFDAHVVHQDENGSFLLYIDRHLVHEVTSPQAFEGLENAGRKVRRVDCTLATVDHNIPTESRKNFKSLDTFIKQTDSRLQVKTLENNVKQFGVPYFGMSDARQGIVHTIGPEEGFTLPGTTVVCGDSHTSTHGAFGSLAFGIGTSEVEHVLATQTIIQAKSKNMRITVNGKLSPGITSKDLILYIIGLIGTAGGTGCVIEFAGEAIEALSMEARMSMCNMAIEAGARAGMIKPDETTFQYTKGRPLAPKGAEWEKAVAYWKTLKTDEGAKFDHEINIEAVDVIPTITWGTSPQDALPITGSVPDPKNVTDPIKKSGMERALAYMGLEPNTPLKSIKVDKVFIGSCTNGRIEDLRSAAAVVRGQKLASNIKLAMVVPGSGLVKKQAEAEGLDKIFQEAGFEWREAGCSICLGMNPDILDAYERCASTSNRNFEGRQGALSRTHLMSPAMAAAAGIAGHFVDIREFEYKDQDQSSPKVEVTSEDEKELESAAYDHAEPVQPEDAPQDIANDELKDIPVKSDDTPAKPSSSGMKPFLTLEGISAPLDKANVDTDAIIPKQFLKTIKRTGLKKGLFYEWRFRKDDQGKDQETDFVLNVEPWREAEILVVTGDNFGCGSSREHAPWALKDFGIKSIIAPSYGDIFYNNSFKNGLLPIRLDQQIIIDKLIPIANKGGKLCVDLPNQKILDSDGNVLVDHFEIEPFRKHCLVNGLDDIGITLQKEEYISRYEALRREKYSFLEGGSKLLKFDNVPKRKAVTTTFDKVHQDW"}]}