{"ymdb_id":"YMDB16286","created_at":"2016-09-12T18:32:47.000Z","updated_at":"2016-10-17T22:34:44.000Z","name":"2,3-Dihydroxyisovaleric acid","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":"2,3-dihydroxy-3-methylbutanoic acid","traditional_iupac":"2,3-dihydroxyisovaleric acid","logp":"-0.8215877916666663","pka":"13.137895474801091","alogps_solubility":"5.29e+02 g/l","alogps_logp":"-0.83","alogps_logs":"0.60","acceptor_count":"4","donor_count":"3","rotatable_bond_count":"2","polar_surface_area":"77.76","refractivity":"29.4405","polarizability":"12.4676669606666","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-3.2052703412545993","pka_strongest_acidic":"3.7976532415810835","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"}],"growth_conditions":[],"references":[],"proteins":[{"created_at":"2011-05-27T05:26:40.000Z","updated_at":"2011-07-22T17:54:38.000Z","name":"Dihydroxy-acid dehydratase, mitochondrial","uniprot_id":"P39522","uniprot_name":"ILV3_YEAST","enzyme":true,"transporter":false,"gene_name":"ILV3","num_residues":585,"molecular_weight":"62860.60156","theoretical_pi":"7.92","general_function":"Involved in metabolic process","specific_function":"2,3-dihydroxy-3-methylbutanoate = 3-methyl-2- oxobutanoate + H(2)O","reactions":[{"id":1463,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1464,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2772,"direction":"\u003e","locations":"Mitochondrion","altext":"2,3-dihydroxy-3-methylbutanoate = 3-methyl-2-oxobutanoate + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":14224,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006662","source":"Smpdb"},{"id":14225,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006762","source":"Smpdb"},{"id":14226,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006772","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion","genbank_gene_id":"X87611","genbank_protein_id":"854590","gene_card_id":"ILV3","chromosome_location":"chromosome 10","locus":"YJR016C","synonyms":["DAD","2,3-dihydroxy acid hydrolyase"],"enzyme_classes":["4.2.1.9"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" carbon-oxygen lyase activity"},{"category":"Function","description":" hydro-lyase activity"},{"category":"Function","description":" dihydroxy-acid dehydratase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"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 biosynthetic process"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"ILVD_EDD","identifier":"PF00920"}],"pathways":[{"name":"Valine, leucine and isoleucine biosynthesis","kegg_map_id":"00290"},{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"}],"gene_sequence":"ATGGGCTTGTTAACGAAAGTTGCTACATCTAGACAATTCTCTACAACGAGATGCGTTGCAAAGAAGCTCAACAAGTACTCGTATATCATCACTGAACCTAAGGGCCAAGGTGCGTCCCAGGCCATGCTTTATGCCACCGGTTTCAAGAAGGAAGATTTCAAGAAGCCTCAAGTCGGGGTTGGTTCCTGTTGGTGGTCCGGTAACCCATGTAACATGCATCTATTGGACTTGAATAACAGATGTTCTCAATCCATTGAAAAAGCGGGTTTGAAAGCTATGCAGTTCAACACCATCGGTGTTTCAGACGGTATCTCTATGGGTACTAAAGGTATGAGATACTCGTTACAAAGTAGAGAAATCATTGCAGACTCCTTTGAAACCATCATGATGGCACAACACTACGATGCTAACATCGCCATCCCATCATGTGACAAAAACATGCCCGGTGTCATGATGGCCATGGGTAGACATAACAGACCTTCCATCATGGTATATGGTGGTACTATCTTGCCCGGTCATCCAACATGTGGTTCTTCGAAGATCTCTAAAAACATCGATATCGTCTCTGCGTTCCAATCCTACGGTGAATATATTTCCAAGCAATTCACTGAAGAAGAAAGAGAAGATGTTGTGGAACATGCATGCCCAGGTCCTGGTTCTTGTGGTGGTATGTATACTGCCAACACAATGGCTTCTGCCGCTGAAGTGCTAGGTTTGACCATTCCAAACTCCTCTTCCTTCCCAGCCGTTTCCAAGGAGAAGTTAGCTGAGTGTGACAACATTGGTGAATACATCAAGAAGACAATGGAATTGGGTATTTTACCTCGTGATATCCTCACAAAAGAGGCTTTTGAAAACGCCATTACTTATGTCGTTGCAACCGGTGGGTCCACTAATGCTGTTTTGCATTTGGTGGCTGTTGCTCACTCTGCGGGTGTCAAGTTGTCACCAGATGATTTCCAAAGAATCAGTGATACTACACCATTGATCGGTGACTTCAAACCTTCTGGTAAATACGTCATGGCCGATTTGATTAACGTTGGTGGTACCCAATCTGTGATTAAGTATCTATATGAAAACAACATGTTGCACGGTAACACAATGACTGTTACCGGTGACACTTTGGCAGAACGTGCAAAGAAAGCACCAAGCCTACCTGAAGGACAAGAGATTATTAAGCCACTCTCCCACCCAATCAAGGCCAACGGTCACTTGCAAATTCTGTACGGTTCATTGGCACCAGGTGGAGCTGTGGGTAAAATTACCGGTAAGGAAGGTACTTACTTCAAGGGTAGAGCACGTGTGTTCGAAGAGGAAGGTGCCTTTATTGAAGCCTTGGAAAGAGGTGAAATCAAGAAGGGTGAAAAAACCGTTGTTGTTATCAGATATGAAGGTCCAAGAGGTGCACCAGGTATGCCTGAAATGCTAAAGCCTTCCTCTGCTCTGATGGGTTACGGTTTGGGTAAAGATGTTGCATTGTTGACTGATGGTAGATTCTCTGGTGGTTCTCACGGGTTCTTAATCGGCCACATTGTTCCCGAAGCCGCTGAAGGTGGTCCTATCGGGTTGGTCAGAGACGGCGATGAGATTATCATTGATGCTGATAATAACAAGATTGACCTATTAGTCTCTGATAAGGAAATGGCTCAACGTAAACAAAGTTGGGTTGCACCTCCACCTCGTTACACAAGAGGTACTCTATCCAAGTATGCTAAGTTGGTTTCCAACGCTTCCAACGGTTGTGTTTTAGATGCTTGA","protein_sequence":"MGLLTKVATSRQFSTTRCVAKKLNKYSYIITEPKGQGASQAMLYATGFKKEDFKKPQVGVGSCWWSGNPCNMHLLDLNNRCSQSIEKAGLKAMQFNTIGVSDGISMGTKGMRYSLQSREIIADSFETIMMAQHYDANIAIPSCDKNMPGVMMAMGRHNRPSIMVYGGTILPGHPTCGSSKISKNIDIVSAFQSYGEYISKQFTEEEREDVVEHACPGPGSCGGMYTANTMASAAEVLGLTIPNSSSFPAVSKEKLAECDNIGEYIKKTMELGILPRDILTKEAFENAITYVVATGGSTNAVLHLVAVAHSAGVKLSPDDFQRISDTTPLIGDFKPSGKYVMADLINVGGTQSVIKYLYENNMLHGNTMTVTGDTLAERAKKAPSLPEGQEIIKPLSHPIKANGHLQILYGSLAPGGAVGKITGKEGTYFKGRARVFEEEGAFIEALERGEIKKGEKTVVVIRYEGPRGAPGMPEMLKPSSALMGYGLGKDVALLTDGRFSGGSHGFLIGHIVPEAAEGGPIGLVRDGDEIIIDADNNKIDLLVSDKEMAQRKQSWVAPPPRYTRGTLSKYAKLVSNASNGCVLDA"}]}