{"ymdb_id":"YMDB16304","created_at":"2016-09-12T18:34:20.000Z","updated_at":"2016-10-17T22:34:44.000Z","name":"cis-homoaconitate","cas":null,"state":null,"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":"(1Z)-but-1-ene-1,2,4-tricarboxylate","traditional_iupac":"cis-homoaconitate","logp":"-0.07646827699999999","pka":"3.902676066049485","alogps_solubility":"2.09e+01 g/l","alogps_logp":"0.21","alogps_logs":"-1.06","acceptor_count":"6","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"120.38999999999999","refractivity":"72.34280000000001","polarizability":"14.99090297643379","formal_charge":"-3","physiological_charge":"-3","pka_strongest_basic":null,"pka_strongest_acidic":"2.282652717735654","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[{"name":"lysine metabolism","kegg_map_id":null}],"growth_conditions":[],"references":[],"proteins":[{"created_at":"2011-05-27T02:40:18.000Z","updated_at":"2011-07-22T17:53:43.000Z","name":"Homoaconitase, mitochondrial","uniprot_id":"P49367","uniprot_name":"LYS4_YEAST","enzyme":true,"transporter":false,"gene_name":"LYS4","num_residues":693,"molecular_weight":"75150.10156","theoretical_pi":"7.41","general_function":"Involved in metabolic process","specific_function":"Responsible for the dehydration of cis-homoaconitate to homoisocitric acid","reactions":[{"id":1150,"direction":"\u003c\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1635,"direction":"\u003c\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2684,"direction":"\u003e","locations":"Mitochondrion","altext":"(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate = (Z)-but-1-ene-1,2,4-tricarboxylate + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":3708,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R003288","source":"Smpdb"},{"id":3709,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R003289","source":"Smpdb"},{"id":4174,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006472","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion","genbank_gene_id":"AY723781","genbank_protein_id":"51830249","gene_card_id":"LYS4","chromosome_location":"chromosome 4","locus":"YDR234W","synonyms":["Homoaconitate hydratase"],"enzyme_classes":["4.2.1.36"],"go_classes":[{"category":"Component","description":" Not Available"},{"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":"Function","description":" catalytic activity"},{"category":"Function","description":" homoaconitate hydratase activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" binding"},{"category":"Process","description":" aspartate family amino acid metabolic process"},{"category":"Process","description":" lysine metabolic process"},{"category":"Process","description":" lysine 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"}],"pfams":[{"name":"Aconitase","identifier":"PF00330"},{"name":"Aconitase_C","identifier":"PF00694"}],"pathways":[{"name":"Lysine biosynthesis","kegg_map_id":"00300"},{"name":"lysine metabolism","kegg_map_id":null}],"gene_sequence":"ATGCTACGATCAACCACATTTACTCGTTCGTTCCACAGTTCTAGGGCCTGGTTGAAAGGTCAGAACCTAACTGAAAAAATTGTTCAGTCGTATGCGGTCAACCTTCCCGAGGGTAAAGTTGTGCATTCTGGTGACTATGTATCGATCAAGCCGGCACACTGTATGTCCCACGATAATTCGTGGCCTGTAGCTTTGAAATTCATGGGGCTTGGCGCTACCAAGATCAAGAATCCTTCACAGATTGTGACCACTCTGGACCACGATATTCAGAACAAATCAGAGAAAAATTTGACCAAGTACAAGAACATCGAAAATTTTGCTAAGAAACACCATATAGACCACTACCCTGCCGGTAGAGGTATTGGTCATCAAATTATGATTGAGGAGGGCTATGCTTTCCCCTTGAACATGACTGTCGCATCTGACTCGCATTCAAACACCTACGGTGGTCTGGGGTCGCTGGGCACTCCAATAGTGAGAACAGACGCTGCAGCCATATGGGCCACGGGACAGACGTGGTGGCAGATCCCACCAGTGGCTCAGGTTGAGTTGAAAGGTCAATTGCCTCAGGGTGTTTCCGGAAAAGATATCATTGTCGCATTATGTGGGCTTTTCAACAATGATCAAGTTCTAAATCACGCCATTGAATTCACGGGTGACTCTTTGAATGCATTGCCTATCGATCACAGACTCACTATTGCTAACATGACCACCGAGTGGGGGGCTCTTTCTGGTTTGTTCCCCGTGGACAAAACTTTGATCGACTGGTATAAAAACCGTTTGCAAAAGCTGGGCACCAATAATCATCCAAGGATTAATCCAAAGACTATCCGCGCACTAGAAGAAAAGGCGAAGATTCCGAAAGCAGACAAGGATGCACATTATGCCAAGAAACTGATCATCGATCTAGCCACGCTAACTCACTACGTCTCAGGTCCAAATAGTGTTAAGGTCTCCAACACCGTGCAAGATCTATCTCAACAAGACATCAAGATAAATAAAGCTTATCTAGTGTCATGTACAAACTCCCGTCTATCTGATTTGCAATCTGCAGCGGATGTGGTTTGTCCTACTGGAGACTTAAACAAAGTCAACAAGGTGGCTCCAGGTGTGGAGTTCTATGTCGCTGCTGCCTCTTCAGAAATTGAGGCTGATGCCCGTAAATCAGGCGCTTGGGAAAAGCTGCTAAAGGCTGGCTGTATCCCACTGCCTTCTGGTTGTGGTCCATGCATCGGTCTAGGTGCGGGATTACTGGAACCAGGTGAAGTTGGTATCAGTGCCACAAACAGAAACTTCAAAGGTAGAATGGGTTCCAAGGATGCATTGGCTTACTTAGCTTCCCCTGCTGTAGTCGCCGCTTCTGCCGTGCTGGGTAAGATTAGTTCTCCTGCTGAGGTATTGTCCACAAGCGAAATTCCATTCAGCGGCGTTAAGACTGAGATAATTGAGAATCCCGTGGTTGAAGAGGAAGTTAACGCTCAAACAGAGGCTCCAAAACAATCCGTTGAGATATTAGAAGGTTTCCCAAGAGAGTTTTCTGGTGAATTAGTTTTATGTGATGCCGATAACATCAATACCGATGGTATATATCCTGGTAAGTACACTTATCAGGATGATGTGCCTAAAGAAAAGATGGCGCAAGTTTGTATGGAAAATTATGATGCCGAGTTCAGAACCAAGGTTCATCCAGGTGATATAGTGGTCAGTGGGTTCAATTTCGGTACCGGTTCCTCCAGGGAACGAGCGGCCACCGCCTTATTGGCTAAAGGTATCAACTTAGTTGTTTCAGGATCTTTTGGTAATATTTTTTCAAGAAACTCCATTAACAATGCTCTTCTGACCTTGGAAATCCCAGCATTAATCAAAAAATTACGTGAGAAATATCAAGGTGCTCCAAAAGAACTTACAAGAAGAACTGGTTGGTTTTTGAAATGGGATGTAGCTGATGCTAAAGTGGTCGTTACCGAAGGTTCTTTGGACGGCCCTGTGATCTTGGAGCAAAAAGTGGGTGAGCTAGGTAAGAACCTACAAGAAATTATTGTAAAAGGAGGCTTGGAAGGTTGGGTCAAATCCCAACTATAA","protein_sequence":"MLRSTTFTRSFHSSRAWLKGQNLTEKIVQSYAVNLPEGKVVHSGDYVSIKPAHCMSHDNSWPVALKFMGLGATKIKNPSQIVTTLDHDIQNKSEKNLTKYKNIENFAKKHHIDHYPAGRGIGHQIMIEEGYAFPLNMTVASDSHSNTYGGLGSLGTPIVRTDAAAIWATGQTWWQIPPVAQVELKGQLPQGVSGKDIIVALCGLFNNDQVLNHAIEFTGDSLNALPIDHRLTIANMTTEWGALSGLFPVDKTLIDWYKNRLQKLGTNNHPRINPKTIRALEEKAKIPKADKDAHYAKKLIIDLATLTHYVSGPNSVKVSNTVQDLSQQDIKINKAYLVSCTNSRLSDLQSAADVVCPTGDLNKVNKVAPGVEFYVAAASSEIEADARKSGAWEKLLKAGCIPLPSGCGPCIGLGAGLLEPGEVGISATNRNFKGRMGSKDALAYLASPAVVAASAVLGKISSPAEVLSTSEIPFSGVKTEIIENPVVEEEVNAQTEAPKQSVEILEGFPREFSGELVLCDADNINTDGIYPGKYTYQDDVPKEKMAQVCMENYDAEFRTKVHPGDIVVSGFNFGTGSSREQAATALLAKGINLVVSGSFGNIFSRNSINNALLTLEIPALIKKLREKYQGAPKELTRRTGWFLKWDVADAKVVVTEGSLDGPVILEQKVGELGKNLQEIIVKGGLEGWVKSQL"}]}