{"ymdb_id":"YMDB00070","created_at":"2011-05-29T15:53:50.000Z","updated_at":"2016-09-08T18:34:58.000Z","name":"Imidazole acetol-phosphate","cas":"99979-59-6","state":"Solid","melting_point":"","description":"Imidazole acetol-phosphate is an intermediate in the biosynthesis of the amino acid histidine. [Biocyc HISTSYN-PWY]","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":null,"chebi_id":"16426","hmdb_id":"HMDB12236","kegg_id":"C01267","pubchem_id":"792","cs_id":"770","foodb_id":null,"wikipedia_link":null,"biocyc_id":"IMIDAZOLE-ACETOL-P","iupac":"[3-(1H-imidazol-4-yl)-2-oxopropoxy]phosphonic acid","traditional_iupac":"3-(1H-imidazol-4-yl)-2-oxopropoxyphosphonic acid","logp":"-2.9574821134456775","pka":"6.03139600175535","alogps_solubility":"1.49e+01 g/l","alogps_logp":"-0.90","alogps_logs":"-1.17","acceptor_count":"5","donor_count":"3","rotatable_bond_count":"5","polar_surface_area":"112.51","refractivity":"46.0746","polarizability":"18.148917277754943","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"6.647396425017994","pka_strongest_acidic":"1.2314915163527376","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-(1H-imidazol-4-yl)-3-(phosphonooxy)-2-propanone","3-(1H-imidazol-4-yl)-2-oxopropyl dihydrogen phosphate","3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate","3-(Imidazol-4-yl)-2-oxopropyl phosphate","Imidazole acetol phosphate","Imidazole acetol-p","Imidazole-acetol phosphate"],"pathways":[{"name":"Histidine metabolism","kegg_map_id":"00340"},{"name":"Histidine 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":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."}],"proteins":[{"created_at":"2011-05-26T17:01:53.000Z","updated_at":"2011-05-27T15:01:01.000Z","name":"Histidinol-phosphate aminotransferase","uniprot_id":"P07172","uniprot_name":"HIS8_YEAST","enzyme":true,"transporter":false,"gene_name":"HIS5","num_residues":385,"molecular_weight":"42645.69922","theoretical_pi":"6.37","general_function":"Involved in transferase activity","specific_function":"L-histidinol phosphate + 2-oxoglutarate = 3- (imidazol-4-yl)-2-oxopropyl phosphate + L-glutamate","reactions":[{"id":1632,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2458,"direction":"\u003e","locations":null,"altext":"L-histidinol phosphate + 2-oxoglutarate = 3-(imidazol-4-yl)-2-oxopropyl phosphate + L-glutamate.","export":false,"pw_reaction_id":null,"source":null},{"id":4163,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006459","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"Z38125","genbank_protein_id":"558690","gene_card_id":"HIS5","chromosome_location":"chromosome 9","locus":"YIL116W","synonyms":["Imidazole acetol-phosphate transaminase"],"enzyme_classes":["2.6.1.9"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" binding"},{"category":"Function","description":" transferase activity, transferring nitrogenous groups"},{"category":"Function","description":" transaminase activity"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" pyridoxal phosphate binding"},{"category":"Function","description":" histidinol-phosphate transaminase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase 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":" histidine family amino acid metabolic process"},{"category":"Process","description":" histidine metabolic process"},{"category":"Process","description":" histidine biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" biosynthetic process"}],"pfams":[{"name":"Aminotran_1_2","identifier":"PF00155"}],"pathways":[{"name":"Histidine metabolism","kegg_map_id":"00340"},{"name":"Tyrosine metabolism","kegg_map_id":"00350"},{"name":"Phenylalanine metabolism","kegg_map_id":"00360"},{"name":"Phenylalanine, tyrosine and tryptophan biosynthesis","kegg_map_id":"00400"},{"name":"Histidine Biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGGTTTTTGATTTGAAAAGAATTGTTAGACCAAAAATTTATAACTTGGAACCTTATCGCTGTGCAAGAGATGATTTCACCGAGGGTATATTGCTAGACGCCAATGAAAATGCCCATGGACCTACTCCAGTTGAATTGAGCAAGACCAATTTACATCGTTACCCGGATCCTCACCAATTGGAATTCAAGACCGCAATGACGAAATACAGGAACAAAACAAGCAGTTATGCCAATGACCCAGAGGTAAAACCTTTAACTGCTGACAATCTGTGCCTAGGTGTGGGATCTGATGAGAGTATTGATGCTATTATTAGAGCATGCTGTGTTCCCGGGAAAGAAAAGATTCTGGTTCTTCCACCAACATATTCTATGTACTCTGTTTGTGCAAACATTAATGATATAGAAGTCGTCCAATGTCCTTTAACTGTTTCCGACGGTTCTTTTCAAATGGATACCGAAGCTGTATTAACCATTTTGAAAAACGACTCGCTAATTAAGTTGATGTTCGTTACTTCACCAGGTAATCCAACCGGAGCCAAAATTAAGACCAGTTTAATCGAAAAGGTCTTACAGAATTGGGACAATGGGTTAGTCGTTGTTGATGAAGCTTACGTAGATTTTTGTGGTGGCTCTACAGCTCCACTAGTCACCAAGTATCCTAACTTGGTTACTTTGCAAACTCTATCCAAGTCATTCGGTTTAGCCGGGATTAGGTTGGGTATGACATATGCAACAGCAGAGTTGGCCAGAATTTTAAATGCAATGAAGGCGCCTTATAATATTTCCTCCCTAGCCTCTGAATATGCACTAAAAGCTGTTCAAGACAGTAATCTAAAGAAGATGGAAGCCACTTCGAAAATAATCAATGAAGAGAAAATGCGCCTCTTAAAGGAATTAACTGCTTTGGATTACGTTGATGACCAATATGTTGGTGGATTAGATGCTAATTTTCTTTTAATACGGATCAACGGGGGTGACAATGTCTTGGCAAAGAAGTTATATTACCAATTGGCTACTCAATCTGGGGTTGTCGTCAGATTTAGAGGTAACGAATTAGGCTGTTCCGGATGTTTGAGAATTACCGTTGGAACCCATGAGGAGAACACACATTTGATAAAGTACTTCAAGGAGACGTTATATAAGCTGGCCAATGAATAA","protein_sequence":"MVFDLKRIVRPKIYNLEPYRCARDDFTEGILLDANENAHGPTPVELSKTNLHRYPDPHQLEFKTAMTKYRNKTSSYANDPEVKPLTADNLCLGVGSDESIDAIIRACCVPGKEKILVLPPTYSMYSVCANINDIEVVQCPLTVSDGSFQMDTEAVLTILKNDSLIKLMFVTSPGNPTGAKIKTSLIEKVLQNWDNGLVVVDEAYVDFCGGSTAPLVTKYPNLVTLQTLSKSFGLAGIRLGMTYATAELARILNAMKAPYNISSLASEYALKAVQDSNLKKMEATSKIINEEKMRLLKELTALDYVDDQYVGGLDANFLLIRINGGDNVLAKKLYYQLATQSGVVVRFRGNELGCSGCLRITVGTHEENTHLIKYFKETLYKLANE"},{"created_at":"2011-05-26T17:02:21.000Z","updated_at":"2011-05-27T15:01:01.000Z","name":"Imidazoleglycerol-phosphate dehydratase","uniprot_id":"P06633","uniprot_name":"HIS7_YEAST","enzyme":true,"transporter":false,"gene_name":"HIS3","num_residues":220,"molecular_weight":"23833.0","theoretical_pi":"6.37","general_function":"Involved in imidazoleglycerol-phosphate dehydratase activity","specific_function":"D-erythro-1-(imidazol-4-yl)glycerol 3- phosphate = 3-(imidazol-4-yl)-2-oxopropyl phosphate + H(2)O","reactions":[{"id":1654,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2459,"direction":"\u003e","locations":null,"altext":"D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate = 3-(imidazol-4-yl)-2-oxopropyl phosphate + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":4162,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006458","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AJ585705","genbank_protein_id":"45720014","gene_card_id":"HIS3","chromosome_location":"chromosome 15","locus":"YOR202W","synonyms":["IGPD"],"enzyme_classes":["4.2.1.19"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" carbon-oxygen lyase activity"},{"category":"Function","description":" hydro-lyase activity"},{"category":"Function","description":" imidazoleglycerol-phosphate dehydratase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" cellular amino acid metabolic process"},{"category":"Process","description":" histidine family amino acid metabolic process"},{"category":"Process","description":" histidine metabolic process"},{"category":"Process","description":" histidine biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"}],"pfams":[{"name":"IGPD","identifier":"PF00475"}],"pathways":[{"name":"Histidine metabolism","kegg_map_id":"00340"},{"name":"Histidine Biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGACAGAGCAGAAAGCCCTAGTAAAGCGTATTACAAATGAAACCAAGATTCAGATTGCGATCTCTTTAAAGGGTGGTCCCCTAGCGATAGAGCACTCGATCTTCCCAGAAAAAGAGGCAGAAGCAGTAGCAGAACAGGCCACACAATCGCAAGTGATTAACGTCCACACAGGTATAGGGTTTCTGGACCATATGATACATGCTCTGGCCAAGCATTCCGGCTGGTCGCTAATCGTTGAGTGCATTGGTGACTTACACATAGACGACCATCACACCACTGAAGACTGCGGGATTGCTCTCGGTCAAGCTTTTAAAGAGGCCCTAGGGGCCGTGCGTGGAGTAAAAAGGTTTGGATCAGGATTTGCGCCTTTGGATGAGGCACTTTCCAGAGCGGTGGTAGATCTTTCGAACAGGCCGTACGCAGTTGTCGAACTTGGTTTGCAAAGGGAGAAAGTAGGAGATCTCTCTTGCGAGATGATCCCGCATTTTCTTGAAAGCTTTGCAGAGGCTAGCAGAATTACCCTCCACGTTGATTGTCTGCGAGGCAAGAATGATCATCACCGTAGTGAGAGTGCGTTCAAGGCTCTTGCGGTTGCCATAAGAGAAGCCACCTCGCCCAATGGTACCAACGATGTTCCCTCCACCAAAGGTGTTCTTATGTAG","protein_sequence":"MTEQKALVKRITNETKIQIAISLKGGPLAIEHSIFPEKEAEAVAEQATQSQVINVHTGIGFLDHMIHALAKHSGWSLIVECIGDLHIDDHHTTEDCGIALGQAFKEALGAVRGVKRFGSGFAPLDEALSRAVVDLSNRPYAVVELGLQREKVGDLSCEMIPHFLESFAEASRITLHVDCLRGKNDHHRSESAFKALAVAIREATSPNGTNDVPSTKGVLM"}]}