{"ymdb_id":"YMDB00428","created_at":"2011-05-29T18:16:25.000Z","updated_at":"2016-09-08T18:35:28.000Z","name":"(S)-2-acetyl-2-hydroxybutanoate","cas":null,"state":null,"melting_point":null,"description":"(S)-2-Acetyl-2-hydroxybutanoate is involved in valine, leucine and isoleucine biosynthesis pathways. [KEGG]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"mitochondrion","synthesis_reference":null,"chebi_id":"27681","hmdb_id":null,"kegg_id":"C06006","pubchem_id":"21145135","cs_id":"389708","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2S)-2-ethyl-2-hydroxy-3-oxobutanoic acid","traditional_iupac":"(2S)-2-ethyl-2-hydroxy-3-oxobutanoic acid","logp":"0.23863807466666656","pka":"12.228646628694571","alogps_solubility":"2.59e+02 g/l","alogps_logp":"-0.58","alogps_logs":"0.25","acceptor_count":"4","donor_count":"2","rotatable_bond_count":"3","polar_surface_area":"74.6","refractivity":"33.114399999999996","polarizability":"13.72478643988865","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-4.6693092913361545","pka_strongest_acidic":"3.602709116384785","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(S)-2-Aceto-2-hydroxybutanoate","(S)-2-acetyl-2-hydroxybutyrate","(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"],"pathways":[{"name":"Valine, leucine and isoleucine biosynthesis","kegg_map_id":"00290"}],"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":8972574,"citation":"Cullin, C., Baudin-Baillieu, A., Guillemet, E., Ozier-Kalogeropoulos, O. (1996). \"Functional analysis of YCL09C: evidence for a role as the regulatory subunit of acetolactate synthase.\" Yeast 12:1511-1518."}],"proteins":[{"created_at":"2011-05-24T21:09:37.000Z","updated_at":"2011-07-22T17:53:52.000Z","name":"Ketol-acid reductoisomerase, mitochondrial","uniprot_id":"P06168","uniprot_name":"ILV5_YEAST","enzyme":true,"transporter":false,"gene_name":"ILV5","num_residues":395,"molecular_weight":"44368.10156","theoretical_pi":"9.42","general_function":"Involved in oxidoreductase activity","specific_function":"(R)-2,3-dihydroxy-3-methylbutanoate + NADP(+) = (S)-2-hydroxy-2-methyl-3-oxobutanoate + NADPH","reactions":[{"id":1142,"direction":"\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1229,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1682,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2362,"direction":"\u003e","locations":"Mitochondrion","altext":"(R)-2,3-dihydroxy-3-methylbutanoate + NADP(+) = (S)-2-hydroxy-2-methyl-3-oxobutanoate + NADPH.","export":false,"pw_reaction_id":null,"source":null},{"id":2363,"direction":"\u003e","locations":"Mitochondrion","altext":"(2R,3R)-2,3-dihydroxy-3-methylpentanoate + NADP(+) = (S)-2-hydroxy-2-ethyl-3-oxobutanoate + NADPH.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion","genbank_gene_id":"U19102","genbank_protein_id":"609403","gene_card_id":"ILV5","chromosome_location":"chromosome 12","locus":"YLR355C","synonyms":["Acetohydroxy-acid reductoisomerase","Alpha-keto-beta-hydroxylacil reductoisomerase"],"enzyme_classes":["1.1.1.86"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" oxidoreductase activity, acting on CH-OH group of donors"},{"category":"Function","description":" oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor"},{"category":"Function","description":" coenzyme binding"},{"category":"Function","description":" ketol-acid reductoisomerase activity"},{"category":"Function","description":" catalytic 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":" oxidation reduction"},{"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":"IlvC","identifier":"PF01450"},{"name":"IlvN","identifier":"PF07991"}],"pathways":[{"name":"Valine, leucine and isoleucine biosynthesis","kegg_map_id":"00290"},{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"}],"gene_sequence":"ATGTTGAGAACTCAAGCCGCCAGATTGATCTGCAACTCCCGTGTCATCACTGCTAAGAGAACCTTTGCTTTGGCCACCCGTGCTGCTGCTTACAGCAGACCAGCTGCCCGTTTCGTTAAGCCAATGATCACTACCCGTGGTTTGAAGCAAATCAACTTCGGTGGTACTGTTGAAACCGTCTACGAAAGAGCTGACTGGCCAAGAGAAAAGTTGTTGGACTACTTCAAGAACGACACTTTTGCTTTGATCGGTTACGGTTCCCAAGGTTACGGTCAAGGTTTGAACTTGAGAGACAACGGTTTGAACGTTATCATTGGTGTCCGTAAAGATGGTGCTTCTTGGAAGGCTGCCATCGAAGACGGTTGGGTTCCAGGCAAGAACTTGTTCACTGTTGAAGATGCTATCAAGAGAGGTAGTTACGTTATGAACTTGTTGTCCGATGCCGCTCAATCAGAAACCTGGCCTGCTATCAAGCCATTGTTGACCAAGGGTAAGACTTTGTACTTCTCCCACGGTTTCTCCCCAGTCTTCAAGGACTTGACTCACGTTGAACCACCAAAGGACTTAGATGTTATCTTGGTTGCTCCAAAGGGTTCCGGTAGAACTGTCAGATCTTTGTTCAAGGAAGGTCGTGGTATTAACTCTTCTTACGCCGTCTGGAACGATGTCACCGGTAAGGCTCACGAAAAGGCCCAAGCTTTGGCCGTTGCCATTGGTTCCGGTTACGTTTACCAAACCACTTTCGAAAGAGAAGTCAACTCTGACTTGTACGGTGAAAGAGGTTGTTTAATGGGTGGTATCCACGGTATGTTCTTGGCTCAATACGACGTCTTGAGAGAAAACGGTCACTCCCCATCTGAAGCTTTCAACGAAACCGTCGAAGAAGCTACCCAATCTCTATACCCATTGATCGGTAAGTACGGTATGGATTACATGTACGATGCTTGTTCCACCACCGCCAGAAGAGGTGCTTTGGACTGGTACCCAATCTTCAAGAATGCTTTGAAGCCTGTTTTCCAAGACTTGTACGAATCTACCAAGAACGGTACCGAAACCAAGAGATCTTTGGAATTCAACTCTCAACCTGACTACAGAGAAAAGCTAGAAAAGGAATTAGACACCATCAGAAACATGGAAATCTGGAAGGTTGGTAAGGAAGTCAGAAAGTTGAGACCAGAAAACCAATAA","protein_sequence":"MLRTQAARLICNSRVITAKRTFALATRAAAYSRPAARFVKPMITTRGLKQINFGGTVETVYERADWPREKLLDYFKNDTFALIGYGSQGYGQGLNLRDNGLNVIIGVRKDGASWKAAIEDGWVPGKNLFTVEDAIKRGSYVMNLLSDAAQSETWPAIKPLLTKGKTLYFSHGFSPVFKDLTHVEPPKDLDVILVAPKGSGRTVRSLFKEGRGINSSYAVWNDVTGKAHEKAQALAVAIGSGYVYQTTFEREVNSDLYGERGCLMGGIHGMFLAQYDVLRENGHSPSEAFNETVEEATQSLYPLIGKYGMDYMYDACSTTARRGALDWYPIFKNALKPVFQDLYESTKNGTETKRSLEFNSQPDYREKLEKELDTIRNMEIWKVGKEVRKLRPENQ"},{"created_at":"2011-05-27T03:16:08.000Z","updated_at":"2011-05-27T15:01:19.000Z","name":"Acetolactate synthase catalytic subunit, mitochondrial","uniprot_id":"P07342","uniprot_name":"ILVB_YEAST","enzyme":true,"transporter":false,"gene_name":"ILV2","num_residues":687,"molecular_weight":"74936.29688","theoretical_pi":"8.87","general_function":"Involved in magnesium ion binding","specific_function":"2 pyruvate = 2-acetolactate + CO(2)","reactions":[{"id":2713,"direction":"\u003e","locations":"Mitochondrion","altext":"2 pyruvate = 2-acetolactate + CO(2).","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1T9D","cellular_location":"Mitochondrion","genbank_gene_id":"AY692995","genbank_protein_id":"51013441","gene_card_id":"ILV2","chromosome_location":"chromosome 13","locus":"YMR108W","synonyms":["Acetohydroxy-acid synthase catalytic subunit","AHAS","ALS"],"enzyme_classes":["2.2.1.6"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity, transferring aldehyde or ketonic groups"},{"category":"Function","description":" acetolactate synthase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" FAD or FADH2 binding"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" metal ion binding"},{"category":"Function","description":" vitamin binding"},{"category":"Function","description":" magnesium ion binding"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" thiamin pyrophosphate binding"},{"category":"Function","description":" transferase activity"},{"category":"Process","description":" branched chain family amino acid biosynthetic 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":" metabolic process"}],"pfams":[{"name":"TPP_enzyme_C","identifier":"PF02775"},{"name":"TPP_enzyme_M","identifier":"PF00205"},{"name":"TPP_enzyme_N","identifier":"PF02776"}],"pathways":[{"name":"Valine, leucine and isoleucine biosynthesis","kegg_map_id":"00290"},{"name":"Butanoate metabolism","kegg_map_id":"00650"},{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"}],"gene_sequence":"ATGATCAGACAATCTACGCTAAAAAACTTCGCTATTAAGCGTTGCTTTCAACATATAGCATACCGCAACACACCTGCCATGAGATCAGTAGCTCTCGCGCAGCGCTTTTATAGTTCGTCTTCCCGTTATTACAGTGCGTCTCCATTACCAGCCTCTAAAAGGCCAGAGCCTGCTCCAAGTTTCAATGTTGATCCATTAGAACAGCCCGCTGAACCTTCAAAATTGGCTAAGAAACTACGCGCTGAGCCTGACATGGATACCTCTTTCGTCGGTTTAACTGGTGGTCAAATATTTAACGAAATGATGTCCAGACAAAACGTTGATACTGTATTTGGTTATCCAGGTGGTGCTATCCTACCTGTTTACGATGCCATTCATAACAGTGATAAATTCAACTTCGTTCTTCCAAAACACGAACAAGGTGCCGGTCACATGGCAGAAGGCTACGCCAGAGCTTCTGGTAAACCAGGTGTTGTCTTGGTTACTTCTGGGCCAGGTGCCACCAATGTCGTTACTCCAATGGCAGATGCCTTTGCAGACGGGATTCCAATGGTTGTCTTTACAGGGCAAGTCCCAACTAGTGCTATCGGTACTGATGCTTTCCAAGAGGCTGACGTCGTTGGTATTTCTAGATCTTGTACGAAATGGAATGTCATGGTCAAGTCCGTGGAAGAATTGCCATTGCGTATTAACGAGGCTTTTGAAATTGCCACGAGCGGTAGACCGGGACCAGTCTTGGTCGATTTACCAAAGGATGTTACAGCAGCTATCTTAAGAAATCCAATTCCAACAAAAACAACTCTTCCATCAAACGCACTAAACCAATTAACCAGTCGCGCACAAGATGAATTTGTCATGCAAAGTATCAATAAAGCAGCAGATTTGATCAACTTGGCAAAGAAACCTGTCTTATACGTCGGTGCTGGTATTTTAAACCATGCAGATGGTCCAAGATTACTAAAAGAATTAAGTGACCGTGCTCAAATACCTGTCACCACTACTTTACAAGGTTTAGGTTCATTCGACCAAGAAGATCCAAAATCATTGGATATGCTTGGTATGCACGGTTGTGCTACTGCCAACCTGGCAGTGCAAAATGCCGACTTGATAATTGCAGTTGGTGCTAGATTCGACGACCGTGTCACTGGTAATATTTCTAAATTCGCTCCAGAAGCTCGTCGTGCAGCTGCCGAGGGTAGAGGTGGTATTATTCATTTCGAGGTTAGTCCAAAAAACATAAACAAGGTTGTTCAAACTCAAATAGCAGTGGAAGGTGATGCTACGACCAATCTGGGCAAAATGATGTCAAAGATTTTCCCAGTTAAGGAGAGGTCTGAATGGTTTGCTCAAATAAATAAATGGAAGAAGGAATACCCATACGCTTATATGGAGGAGACTCCAGGATCTAAAATTAAACCACAGACGGTTATAAAGAAACTATCCAAGGTTGCCAACGACACAGGAAGACATGTCATTGTTACAACGGGTGTGGGGCAACATCAAATGTGGGCTGCTCAACACTGGACATGGAGAAATCCACATACTTTCATCACATCAGGTGGTTTAGGTACGATGGGTTACGGTCTCCCTGCCGCCATCGGTGCTCAAGTTGCAAAGCCAGAATCTTTGGTTATTGACATTGATGGTGACGCATCCTTTAACATGACTCTAACGGAATTGAGTTCTGCCGTTCAAGCTGGTACTCCAGTGAAGATTTTGATTTTGAACAATGAAGAGCAAGGTATGGTTACTCAATGGCAATCCCTGTTCTACGAACATCGTTATTCCCACACACATCAATTGAACCCTGATTTCATAAAACTAGCGGAGGCTATGGGTTTAAAAGGTTTAAGAGTCAAGAAGCAAGAGGAATTGGACGCTAAGTTGAAAGAATTCGTTTCTACCAAGGGCCCAGTTTTGCTTGAAGTGGAAGTTGATAAAAAAGTTCCTGTTTTGCCAATGGTGGCAGGTGGTAGCGGTCTAGACGAGTTCATAAATTTTGACCCAGAAGTTGAAAGACAACAGACTGAATTACGTCATAAGCGTACAGGCGGTAAGCACTGA","protein_sequence":"MIRQSTLKNFAIKRCFQHIAYRNTPAMRSVALAQRFYSSSSRYYSASPLPASKRPEPAPSFNVDPLEQPAEPSKLAKKLRAEPDMDTSFVGLTGGQIFNEMMSRQNVDTVFGYPGGAILPVYDAIHNSDKFNFVLPKHEQGAGHMAEGYARASGKPGVVLVTSGPGATNVVTPMADAFADGIPMVVFTGQVPTSAIGTDAFQEADVVGISRSCTKWNVMVKSVEELPLRINEAFEIATSGRPGPVLVDLPKDVTAAILRNPIPTKTTLPSNALNQLTSRAQDEFVMQSINKAADLINLAKKPVLYVGAGILNHADGPRLLKELSDRAQIPVTTTLQGLGSFDQEDPKSLDMLGMHGCATANLAVQNADLIIAVGARFDDRVTGNISKFAPEARRAAAEGRGGIIHFEVSPKNINKVVQTQIAVEGDATTNLGKMMSKIFPVKERSEWFAQINKWKKEYPYAYMEETPGSKIKPQTVIKKLSKVANDTGRHVIVTTGVGQHQMWAAQHWTWRNPHTFITSGGLGTMGYGLPAAIGAQVAKPESLVIDIDGDASFNMTLTELSSAVQAGTPVKILILNNEEQGMVTQWQSLFYEHRYSHTHQLNPDFIKLAEAMGLKGLRVKKQEELDAKLKEFVSTKGPVLLEVEVDKKVPVLPMVAGGSGLDEFINFDPEVERQQTELRHKRTGGKH"}]}