{"ymdb_id":"YMDB00063","created_at":"2011-05-29T15:53:08.000Z","updated_at":"2016-09-08T18:34:58.000Z","name":"(R)-2,3-Dihydroxy-isovalerate","cas":null,"state":"Solid","melting_point":null,"description":"(R)-2,3-Dihydroxy-isovalerate is an intermediate in valine, leucine and isoleucine biosynthesis.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Mitochondrion","synthesis_reference":null,"chebi_id":"15684","hmdb_id":"HMDB12141","kegg_id":"C04272","pubchem_id":"440279","cs_id":"389255","foodb_id":null,"wikipedia_link":null,"biocyc_id":"DIOH-ISOVALERATE","iupac":"(2R)-2,3-dihydroxy-3-methylbutanoic acid","traditional_iupac":"(R)-2,3-dihydroxy-isovalerate","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":"77.75999999999999","refractivity":"29.4405","polarizability":"12.481918919422833","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":["(2R)-2,3-dihydroxy-3-methylbutanoate","(2R)-2,3-dihydroxy-3-methylbutanoic acid","(R)-2,3-dihydroxy-3-methylbutanoate","(R)-2,3-dihydroxy-3-methylbutanoic acid","(R)-2,3-Dihydroxy-isovalerate","(R)-2,3-Dihydroxy-isovaleric acid"],"pathways":[{"name":"Valine, leucine and isoleucine biosynthesis","kegg_map_id":"00290"},{"name":"Valine Biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[{"pubmed_id":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."},{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"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 + 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coenzyme binding"},{"category":"Function","description":" ketol-acid reductoisomerase activity"},{"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":" oxidation reduction"},{"category":"Process","description":" cellular amino acid biosynthetic process"},{"category":"Process","description":" branched chain family amino acid biosynthetic 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 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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":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" 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2-reductase","uniprot_id":"P38787","uniprot_name":"PANE_YEAST","enzyme":true,"transporter":false,"gene_name":"PAN5","num_residues":379,"molecular_weight":"42820.89844","theoretical_pi":"6.62","general_function":"Involved in oxidoreductase activity","specific_function":"Catalyzes the NADPH-dependent reduction of ketopantoate into pantoic acid","reactions":[{"id":1142,"direction":"\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2839,"direction":"\u003e","locations":null,"altext":"(R)-pantoate + NADP(+) = 2-dehydropantoate + NADPH.","export":false,"pw_reaction_id":null,"source":null},{"id":14216,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006655","source":"Smpdb"},{"id":14217,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006763","source":"Smpdb"},{"id":14218,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006771","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":"PAN5","chromosome_location":"chromosome 8","locus":"YHR063C","synonyms":["Ketopantoate reductase","KPA reductase","KPR"],"enzyme_classes":["1.1.1.169"],"go_classes":[{"category":"Component","description":" cell part"},{"category":"Component","description":" intracellular part"},{"category":"Component","description":" cytoplasm"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleotide binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" NADP or NADPH binding"},{"category":"Function","description":" coenzyme binding"},{"category":"Process","description":" pantothenate biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" oxidation reduction"},{"category":"Process","description":" cofactor metabolic process"},{"category":"Process","description":" coenzyme metabolic process"},{"category":"Process","description":" coenzyme biosynthetic process"}],"pfams":[{"name":"ApbA","identifier":"PF02558"},{"name":"ApbA_C","identifier":"PF08546"}],"pathways":[{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"}],"gene_sequence":"ATGACTGCACCACACAGAAGTACTATTCATATTCTTGGGTTGGGTGCCATGGGTACCGTTTTGGCAGTTGACCTTTTAAGATTTACCAATGCCCTAGTTGTGCCCTTATTTAGATCACAAGAAAGACTTGCACAATTTCAGAAGACAAATGGGAACAACATTTCGATTCGCAAACTTTATTTGGAAGGCTCGCCAATATTTTCTTATCCAGTGGAGAAATGCGAATGCCCTGAAACTTTCTCTAAAAAACCTATTGACAACTTAGTCGTCACTACAAAGACTTACCAAACCAAAGAAGCACTAGCTCCTTATTTGCCTTATATTAATAAAAATACAAACTTAATTTTGATTCAGAATGGACTGGGCGTTTTAGAACTATTGAGAGAAGAAATCTTTACAGATTCAAAAAACAGACCACATTTATTTCAGGGTGTCATTTCTCATGGCGTTTATCAGGATAAAGCAGGAGTTTTCAATCATGCTGGGTGGGCTGGTATGAAAATTGCCAAATTGCCTTGGACTGAGGAAGAAATGATTCAAAAAAAATCCGTAGTCGAGGACGATGCAGCCAATAACTCATTAGTAAAATTATTAACAGAACCAAAATTTGCCAAGGAATTTGGAATAGAACATTCCACTTATCAAGAAATGCTCTTTGGTCAATTATTTAAATTTTTGGTTAATGCATGCATGAATCCAGTTACGGCTATTCTAGATTGTGTCAATGGTGAGATGAAGGCCAGTTGCGGTCCAGTTTTCACATCTATTATTGACGAGTGTTTACAAATATTGAGAGTTGCTTATAGGCCATTGTTTCAATACCACGAAAAATACAGCGGTAATGAAGAATACCCAGAAATGGATGTCAATGCAGTACTGACAACCGATAACATGGTCTCCGAAGTCACTAGAATTGGCTGTGACATCAATTCTAGGAACAGTAGTTCAATGAGACAAGACACTTTGTTCTTAAGAGACATTGAAATTGAGTATATCAATGGCTATGTCGTCAAATTGGCTGATAACTTAAATCTAGACCCAAACTGCTGCAAGGTTAATAAAACTATCGGAGAATTGGCCACTATGAGATTAGCATTGAACAGGTCGAGAAGTATCAATGGTGACTGGAGAAAGGACTGA","protein_sequence":"MTAPHRSTIHILGLGAMGTVLAVDLLRFTNALVVPLFRSQERLAQFQKTNGNNISIRKLYLEGSPIFSYPVEKCECPETFSKKPIDNLVVTTKTYQTKEALAPYLPYINKNTNLILIQNGLGVLELLREEIFTDSKNRPHLFQGVISHGVYQDKAGVFNHAGWAGMKIAKLPWTEEEMIQKKSVVEDDAANNSLVKLLTEPKFAKEFGIEHSTYQEMLFGQLFKFLVNACMNPVTAILDCVNGEMKASCGPVFTSIIDECLQILRVAYRPLFQYHEKYSGNEEYPEMDVNAVLTTDNMVSEVTRIGCDINSRNSSSMRQDTLFLRDIEIEYINGYVVKLADNLNLDPNCCKVNKTIGELATMRLALNRSRSINGDWRKD"}]}